Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008271

Phytochemical name: Parvifuran

Synonymous chemical names:
Parvifuran, parvifuran

External chemical identifiers:
CID:CID_5314863

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Chemical structure information

SMILES:
COc1cc2oc(c(c2cc1O)C)c1ccccc1

InChI:
InChI=1S/C16H14O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-9,17H,1-2H3

InChIKey:
RICORHDCMSYMOL-UHFFFAOYSA-N

DeepSMILES:
COcccoccc5cc9O))))C))cccccc6

Functional groups:
cOC, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3ccccc3o2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 0.595

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Chemical structure download