Summary

IMPPAT Phytochemical identifier: IMPHY001152

Phytochemical name: Chamaejasmenin C

Synonymous chemical names:
chamaejasmenin c

External chemical identifiers:
CID:102351387

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Chemical structure information

SMILES:
COc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@H]1[C@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)OC)c1ccc(cc1)OC)O

InChI:
InChI=1S/C33H28O10/c1-39-19-8-4-16(5-9-19)32-28(30(37)26-22(35)12-18(34)13-24(26)42-32)29-31(38)27-23(36)14-21(41-3)15-25(27)43-33(29)17-6-10-20(40-2)11-7-17/h4-15,28-29,32-36H,1-3H3/t28-,29-,32-,33-/m1/s1

InChIKey:
RCENZFSDCKZBLJ-HDFRUCAHSA-N

DeepSMILES:
COcccccc6))[C@H]OcccO)ccc6C=O)[C@H]%10[C@H][C@H]OccC6=O))cO)ccc6)OC))))))))cccccc6))OC)))))))))))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OC(c2ccccc2)C1C1C(=O)c2ccccc2OC1c1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1C1C(O)C2CCCCC2OC1C1CCCCC1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1C1C(C)C2CCCCC2CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 0.859

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Chemical structure download