Summary

IMPPAT Phytochemical identifier: IMPHY014204

Phytochemical name: 2,7-Dihydroxy-3-methyl-5-isopropyl-8-formyl-1,4-naphthoquinone

Synonymous chemical names:
2,7-dihydroxy-8-formyl-5-isopropyl-3-methyl-1,4-naphthaquinone

External chemical identifiers:
CID:11108542

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Chemical structure information

SMILES:
O=Cc1c(O)cc(c2c1C(=O)C(=O)C(=C2O)C)C(C)C

InChI:
InChI=1S/C15H14O5/c1-6(2)8-4-10(17)9(5-16)12-11(8)13(18)7(3)14(19)15(12)20/h4-6,17-18H,1-3H3

InChIKey:
JTVDNILHBSBEFN-UHFFFAOYSA-N

DeepSMILES:
O=CccO)cccc6C=O)C=O)C=C6O))C))))))CC)C

Functional groups:
CC1=C(O)ccC(=O)C1=O, cC=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: 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: 1.53

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Chemical structure download