Summary

IMPPAT Phytochemical identifier: IMPHY008463

Phytochemical name: Isodiodantunezone

Synonymous chemical names:
8-hydroxy isomer (isodiodantunezone), isodiodantunezone

External chemical identifiers:
CID:10443215, ZINC:ZINC000014492409

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Chemical structure information

SMILES:
Oc1cccc2c1C(=O)c1occc1C2=O

InChI:
InChI=1S/C12H6O4/c13-8-3-1-2-6-9(8)11(15)12-7(10(6)14)4-5-16-12/h1-5,13H

InChIKey:
SWJGKVQLUWDFRB-UHFFFAOYSA-N

DeepSMILES:
Occcccc6C=O)coccc5C9=O

Functional groups:
cC(c)=O, cO, 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: 1.411

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Chemical structure download