Summary

IMPPAT Phytochemical identifier: IMPHY012653

Phytochemical name: 2-Isopropenylnaphtho[2,3-b]furan-4,9-dione

Synonymous chemical names:
2-isopropenylnaphtho[2,3-b]-furan-4,9-dione, 2-isopropenylnaphtho[2,3-b]furan-4,9-dione

External chemical identifiers:
CID:637335, ChEMBL:CHEMBL484359, SureChEMBL:SCHEMBL16917433

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Chemical structure information

SMILES:
CC(=C)c1cc2c(o1)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3

InChIKey:
JIXOWAXGILXNLY-UHFFFAOYSA-N

DeepSMILES:
CC=C)cccco5)C=O)ccC6=O))cccc6

Functional groups:
cC(=C)C, cC(c)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2occc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2OCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.331

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Chemical structure download