Summary

IMPPAT Phytochemical identifier: IMPHY000908

Phytochemical name: Garbanzol

Synonymous chemical names:
garbanzol

External chemical identifiers:
CID:442410, ChEMBL:CHEMBL254051, ChEBI:27587, ZINC:ZINC000004098319, MolPort-039-142-001

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1O

InChI:
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1

InChIKey:
VRTGGIJPIYOHGT-LSDHHAIUSA-N

DeepSMILES:
Occcccc6))[C@H]OcccO)ccc6C=O)[C@@H]%10O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 1.838

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Chemical structure download