Summary

IMPPAT Phytochemical identifier: IMPHY011153

Phytochemical name: 1,6-Dimethyl-4-isopropyl-5,8-naphthoquinone

Synonymous chemical names:
stahlianthusone

External chemical identifiers:
CID:135829

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Chemical structure information

SMILES:
CC1=CC(=O)c2c(C1=O)c(ccc2C)C(C)C

InChI:
InChI=1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(16)7-10(4)15(17)14(11)13/h5-8H,1-4H3

InChIKey:
ZPQRKKKZKXGBCB-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)ccC6=O))cccc6C))))CC)C

Functional groups:
CC1=CC(=O)ccC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.049

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Chemical structure download