Summary

IMPPAT Phytochemical identifier: IMPHY003232

Phytochemical name: Luvangetin

Synonymous chemical names:
luvangetin

External chemical identifiers:
CID:343582, ChEMBL:CHEMBL254379, ChEBI:6586, ZINC:ZINC000000898299, SureChEMBL:SCHEMBL14511557, MolPort-005-945-814

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Chemical structure information

SMILES:
COc1c2OC(C)(C)C=Cc2cc2c1oc(=O)cc2

InChI:
InChI=1S/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3

InChIKey:
XYPWCJWXFYYGPA-UHFFFAOYSA-N

DeepSMILES:
COccOCC)C)C=Cc6ccc%10oc=O)cc6

Functional groups:
c=O, cC=CC, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2cc3c(cc2o1)OCC=C3

Scaffold Graph/Node level:
OC1CCC2CC3CCCOC3CC2O1

Scaffold Graph level:
CC1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Pyranocoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Pyranocoumarins, Simple coumarins

NP-Likeness score: 2.275

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Chemical structure download