Summary

IMPPAT Phytochemical identifier: IMPHY004577

Phytochemical name: Sojagol

Synonymous chemical names:
sojagol

External chemical identifiers:
CID:5281809, ChEBI:9183, ZINC:ZINC000000899909

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc1c2CCC(O1)(C)C

InChI:
InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3

InChIKey:
GSAVLDZAGYKJSO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)oc=O)cc6occ5cccc6CCCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2oc3c4c(ccc3c12)OCCC4

Scaffold Graph/Node level:
OC1OC2CCCCC2C2OC3C4CCCOC4CCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3C4CCCCC4CCC3C12

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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: 1.491

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Chemical structure download