Summary

IMPPAT Phytochemical identifier: IMPHY004806

Phytochemical name: Aristolindiquinone

Synonymous chemical names:
aristolindiquinone, napthoquinone-aristolindiquinone

External chemical identifiers:
CID:442723

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Chemical structure information

SMILES:
CC1=C(O)c2c(C(=O)C1=O)c(C)ccc2O

InChI:
InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13-14H,1-2H3

InChIKey:
SJBCQYINLQWMKL-UHFFFAOYSA-N

DeepSMILES:
CC=CO)ccC=O)C6=O)))cC)ccc6O

Functional groups:
CC1=C(O)ccC(=O)C1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.25

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Chemical structure download