Summary

IMPPAT Phytochemical identifier: IMPHY004690

Phytochemical name: Corylinal

Synonymous chemical names:
corylinal

External chemical identifiers:
CID:44257227, ZINC:ZINC000013408722

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Chemical structure information

SMILES:
O=Cc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C16H10O5/c17-7-10-5-9(1-4-14(10)19)13-8-21-15-6-11(18)2-3-12(15)16(13)20/h1-8,18-19H

InChIKey:
RSDJURKESRJBKH-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6O))))ccoccc6=O))cccc6)O

Functional groups:
c=O, cC=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.079

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Chemical structure download