Summary

IMPPAT Phytochemical identifier: IMPHY002392

Phytochemical name: Beta-hydroplumbagin

Synonymous chemical names:
beta-hydroplumbagin

Chemical structure information

SMILES:
CC1CC(=O)c2c(C1=O)cccc2O

InChI:
InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3

InChIKey:
ALPCEXCHMFUSAN-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)ccC6=O))cccc6O

Functional groups:
cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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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: 1.624

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Chemical structure download