Summary

IMPPAT Phytochemical identifier: IMPHY003069

Phytochemical name: Sativol

Synonymous chemical names:
sativol

External chemical identifiers:
CID:3084009, ChEBI:174834, ZINC:ZINC000014778667

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Chemical structure information

SMILES:
COc1ccc2c(c1O)oc(=O)c1c2oc2c1ccc(c2)O

InChI:
InChI=1S/C16H10O6/c1-20-10-5-4-9-14-12(16(19)22-15(9)13(10)18)8-3-2-7(17)6-11(8)21-14/h2-6,17-18H,1H3

InChIKey:
YLRNDYZYIUVEDH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))oc=O)cc6occ5cccc6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2oc3ccccc3c12

Scaffold Graph/Node level:
OC1OC2CCCCC2C2OC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3CCCCC3C12

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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: 1.325

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Chemical structure download