Summary

IMPPAT Phytochemical identifier: IMPHY013211

Phytochemical name: Falciformin

Synonymous chemical names:
falciformin

External chemical identifiers:
CID:14563011

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Chemical structure information

SMILES:
COc1ccc2c(c1C(C(=C)O)(C)C)C(=O)CC(O2)c1ccccc1

InChI:
InChI=1S/C21H22O4/c1-13(22)21(2,3)20-17(24-4)11-10-16-19(20)15(23)12-18(25-16)14-8-6-5-7-9-14/h5-11,18,22H,1,12H2,2-4H3

InChIKey:
XHMVNELCFXCQCN-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=C)O))C)C)))C=O)CCO6)cccccc6

Functional groups:
C=C(C)O, cC(C)=O, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 0.889

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Chemical structure download