Summary

IMPPAT Phytochemical identifier: IMPHY004968

Phytochemical name: Corylidin

Synonymous chemical names:
corylidin

External chemical identifiers:
CID:5316096

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1c2c(=O)oc2c1cc1c(c2)OC(C(C1O)O)(C)C

InChI:
InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3

InChIKey:
QYJUEWQOEZPDIA-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5c=O)occ6cccc6)OCCC6O))O))C)C

Functional groups:
CO, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2cc3c(cc2c2oc4ccccc4c12)CCCO3

Scaffold Graph/Node level:
OC1OC2CC3OCCCC3CC2C2OC3CCCCC3C12

Scaffold Graph level:
CC1CC2CC3CCCCC3CC2C2CC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Coumestans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumestan

NP-Likeness score: 2.017

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Chemical structure download