Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002423

Phytochemical name: Visnagin

Synonymous chemical names:
visnagin, Visnagin

External chemical identifiers:
CID:CID_6716, ChEMBL:CHEMBL45176, ChEBI:CHEBI:10002, ZINC:ZINC000000120179, FDASRS:P64438MLBW, SureChEMBL:SCHEMBL498450, MolPort-001-740-507

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Chemical structure information

SMILES:
COc1c2c(=O)cc(oc2cc2c1cco2)C

InChI:
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3

InChIKey:
NZVQLVGOZRELTG-UHFFFAOYSA-N

DeepSMILES:
COccc=O)ccoc6ccc%10cco5))))))))C

Functional groups:
coc, cOC, c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2cc3occc3cc12

Scaffold Graph/Node level:
OC1CCOC2CC3OCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 1.453

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Chemical structure download