Properties
Canonical smiles
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Chemical formula
C₂₁H₂₀O₁₀
Found in taxon
Humulus lupulus, Aguacate, Nectandra grandiflora, Betula pubescens, Betula pendula, Uvaria afzelii, Flemingia stricta, Cryptomeria japonica, Fuchsia excorticata, Cassia nodosa, Ephedra alata, Ochradenus baccatus, Foeniculum vulgare, Saussurea mongolica, Garcinia bancana, Juglans mandshurica, Havardia albicans, Mallotus metcalfianus, Euphorbia hirta, Eurya tigang, Carduus tenuiflorus, Agrimonia eupatoria, Sedum sediforme, Cassipourea gummiflua, Morinda morindoides, Afzelia bipindensis, Vahlia capensis, Iryanthera sagotiana, Costus afer, Epilobium hirsutum, Esenbeckia grandiflora, Zanthoxylum culantrillo, Fraxinus insularis, Rubus pungens, Chamaecyparis formosensis, Pinus sylvestris, Clausena excavata, Leptothyrsa sprucei, Cissus sicyoides, Warburgia ugandensis, Warburgia stuhlmannii, Ailanthus triphysa, Koelreuteria paniculata, Jatropha variegata, Syneilesis aconitifolia, Carduus nutans, Rosa × damascena, Vancouveria hexandra, Uncaria hirsuta, Ocotea velloziana, Erythroxylum laurifolium, Orostachys japonica, Premna tomentosa, Nectandra gardneri, Eriobotrya japonica, Onobrychis cyri, Onobrychis viciifolia, Tilia tomentosa, Tamarix hispida, Centaurea horrida, Crypteronia paniculata, Moquilea licaniaeflora, Mikania cordata, Alchornea glandulosa, Alstroemeria pulchra, Corylus avellana, Hyphear tanakae, Erythroxylum pruinosum, Erythroxylum tenue, Erythroxylum vacciniifolium, Aralia elata, Machilus thunbergii, Cassinia laevis, Millettia zechiana, Pterogyne nitens, Houttuynia cordata, Lespedeza virgata, Excoecaria agallocha, Cornus macrophylla, Kandelia candel, Abies homolepis, Actinidia chinensis var. hispida, Agrimonia pilosa, Ajuga integrifolia, Albizia julibrissin, Alnus japonica, Bauhinia multinervia, Camellia crassicolumna, Camellia crassicolumna var. multiplex, Camellia oleifera, Camellia reticulata, Centaurea bornmuelleri, Psephellus huber-morathii, Psephellus schischkinii, Dorycnium hirsutum, Epimedium sagittatum, Erythrophleum fordii, Euphorbia petiolata, Krascheninnikovia ceratoides, Excoecaria cochinchinensis, Fissistigma pallens, Sticherus quadripartitus, Ixora coccinea, Juniperus communis, Juniperus communis depressa, Ligustrum vulgare, Litsea sericea, Dendrophthoe falcata, Dendrophthoe longiflora, Luculia pinceana, Cinnamomum philippinense, Malpighia emarginata, Melaleuca quinquenervia, Neolitsea sericea, Neolitsea aurata, Phoebe formosana, Doryopteris decipiens, Reseda muricata, Rodgersia podophylla, Sageretia thea, Sclerocarya birrea, Oenothera glaucifolia, Tetrapanax papyrifer, Macrothelypteris torresiana, Complex-toothed flying squirrel, Vateria indica, Viburnum tinus, Vicia cracca, Vicia variabilis, Schnella microstachya, Dicranopteris dichotoma, Premna flavescens, Ginkgo biloba, Muehlenbeckia platyclada, Homalocladium platycladum, Brickellia diffusa, Astilbe chinensis, Astilbe rubra, Astilbe thunbergii, Rodgersia pinnata, Rodgersia sambucifolia, Cissus discolor, Psephellus bornmuelleri, Lotus hirsutus, Loranthus tanakae, Juniperus communis var. depressa, Nymphaea nouchali var. caerulea, Fallopia japonica var. japonica, Tilia mandshurica, Nymphaea odorata, Cornus controversa, Vicia tenuifolia, Actinidia chinensis var. deliciosa, Lotus tenuis, Myrothamnus flabellifolia, Myrothamnus flabellifolius, Dicranopteris pedata, Rosa gallica, Senna didymobotrya, Moquilea pyrifolia, Zingiber zerumbet, Sedum crassularia, ginger, Premna odorata
Isomeric smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Mass
+432.106
Stereoisomer of
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, kaempferol-3-O-alpha-L-rhamnoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
External References (23)
Cas registry number
482-39-3
Chebi id
80790
Chembl id
CHEMBL240528
Chemspider id
4475671
Dsstox compound identifier
DTXCID10119950
Dsstox substance id
DTXSID50197459
Freebase id
/m/0py35nz
Inchi
InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
Inchikey
SOSLMHZOJATCCP-AEIZVZFYSA-N
Kegg id
C16911
Knapsack id
C00005140
Lipid maps id
LMPK12111842
Massbank accession id
MSBNK-Fiocruz-FIO00758, MSBNK-Fiocruz-FIO00759, MSBNK-Fiocruz-FIO00760, MSBNK-Fiocruz-FIO00761, MSBNK-Fiocruz-FIO00762, MSBNK-Fiocruz-FIO00763, MSBNK-Fiocruz-FIO00764, MSBNK-Fiocruz-FIO00765, MSBNK-Fiocruz-FIO00766, MSBNK-Fiocruz-FIO00767, MSBNK-RIKEN-PR100970, MSBNK-RIKEN-PR101007, MSBNK-RIKEN-PR101024
Microsoft academic id (discontinued)
2778325797
Pdb ligand id
AFE
Pdb structure id
4EL9
Probes and drugs id
PD118106
Pubchem cid
5316673
Reaxys registry number
1359648
Splash
splash10-000i-0190000000-06e62a7cd63ef54fd9b3, splash10-000i-0090000000-cd6d7eae4e9ed074e620, splash10-000i-0090000000-9a0204794defdae7c1ef, splash10-000i-0090000000-66802ceba8ff6e82f6bc, splash10-001i-0000900000-05005dc7edc5489a012d, splash10-001i-0050900000-75b20c99cef7babe27f9, splash10-001r-0090100000-6b3503dac56edc87bac8, splash10-001r-0090000000-0d12f6be6ca409382aa4, splash10-0a6r-0090000000-82affed668343724370d, splash10-0540-0090200000-abad8afff617ff354fa3, splash10-000i-3290000000-7d615fd1dba1bd8b9e3b, splash10-000i-3190000000-58061f57dd819e7beeab, splash10-0019-0090000000-012df26fed23ba1b5f16, splash10-000i-0090000000-81a878bf8051252aa3cc, splash10-000i-0093100000-b47547a039da954f0367, splash10-000i-0093100000-b88deccfb1dbbb96efd7, splash10-0a4i-0009100000-afb9d4f58bcd56d1c74d, splash10-0a4i-0009100000-dd4736ff24b994c2a0d7, splash10-0019-0190700000-9086baf33bd151ce85e2, splash10-000i-2590000000-4e0142de316f1aa283b8, splash10-000i-6190000000-695a8ef51c2e6d67e047, splash10-000i-9060000000-780a009f75089d6c467f, splash10-0079-9040000000-8412608e73493b87713f, splash10-0079-9040000000-6af779b744ab5a6600c5, splash10-001i-0000900000-849485d1c2d418b23633, splash10-001i-0020900000-41e127da167f943c1b5a, splash10-001r-0090400000-128004db52423c084ebb, splash10-001i-0090000000-5b2689931e8cb2d8358a, splash10-001i-0090000000-a32d1116297872c62aa6, splash10-001r-0080900000-82358fbff633dad48470, splash10-000i-2390000000-c8644e246b146352c6c7, splash10-000i-9170000000-bd622ffcd742d6c90d94, splash10-000i-9040000000-9fec6e17dead71ab2eee, splash10-000i-9080000000-f808d1fe927fdc42b587, splash10-001i-0000900000-e967731e7d38ecb2554c, splash10-001i-0010900000-e5872bc4e743efd48db6, splash10-001r-0090300000-937b3f804020816f6799, splash10-001i-0090000000-f62c1054860a49ada606, splash10-001i-0090000000-fb1df249d5e62e68b526, splash10-001r-0090400000-b9e6570c344578f21f9e, splash10-000i-0190000000-65406c67bfce4caf6a3a, splash10-0ab0-0090000000-0f03e2d8a8602bda57d0
Surechembl id
1689477
Unichem compound id
438080
Unii
5M86W1YH7O