engeletin
Facts
8 properties- Instance of
- type of chemical entity
- Subclass of
- engeletin (unspec. stereochem.), (3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
- Canonical SMILES
- CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
- Chemical formula
- C₂₁H₂₂O₁₀
- Found in taxon
- Andira inermis, Artocarpus dadah, Artocarpus lacucha, Camellia reticulata, Engelhardia roxburghiana, Flindersia australis, Iryanthera sagotiana, Malpighia emarginata, Osyris alba, Smilax bockii, Smilax corbularia, Vitis vinifera
- Isomeric SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
- Mass
- 434.121297 Da
- Stereoisomer of
- (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, isoengeletin, (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, neoengeletin, neoisoengeletin
- CAS Registry Number
- 572-31-6
- ChEBI ID
- 137452
- ChemSpider ID
- 4955827
- DSSTOX compound identifier
- DTXCID201400116
- DSSTox substance ID
- DTXSID70972649
- Freebase ID
- /m/0gjb790
- InChIKey
- VQUPQWGKORWZII-WDPYGAQVSA-N
- Microsoft Academic ID (discontinued)
- 2778532156
- Probes And Drugs ID
- PD088110
- PubChem CID
- 6453452
- SureChEMBL ID
- 5575048
Show all 13 identifiers +1
- UniChem compound ID
- 8638660
Found in taxon 14
0 sources
Summary
engeletin is a type of chemical entity[1]. engeletin is a type of engeletin (unspec. stereochem.)[2] and (3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one[3].
Key Facts
- Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[4]
- Chemical formula: C₂₁H₂₂O₁₀[5]
- Found in taxon: Andira inermis[6], Artocarpus dadah[7], Artocarpus lacucha[8], Camellia reticulata[9], Engelhardia roxburghiana[10], Flindersia australis[11], Iryanthera sagotiana[12], Malpighia emarginata[13], Osyris alba[14], Smilax bockii[15], Smilax corbularia[16], Vitis vinifera[17], Stelechocarpus cauliflorus[18], Petiveria alliacea[19]
- Isomeric SMILES: C[C@H]1C@@HOC@@HO">[20]
- Mass: 434.121297 dalton[21]
- Stereoisomer of: (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one[22], isoengeletin[23], (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one[24], (2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one[25], neoengeletin[26], neoisoengeletin[27]