Summary

IMPPAT Phytochemical identifier: IMPHY005026

Phytochemical name: 5-Hydroxylapachol

Synonymous chemical names:
5-hydroxyalpachol

External chemical identifiers:
CID:5318245

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Chemical structure information

SMILES:
CC(=CCC1=C(O)c2c(C(=O)C1=O)cccc2O)C

InChI:
InChI=1S/C15H14O4/c1-8(2)6-7-10-13(17)12-9(14(18)15(10)19)4-3-5-11(12)16/h3-6,16-17H,7H2,1-2H3

InChIKey:
ZDNKGOAYDCAKCR-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CO)ccC=O)C6=O)))cccc6O)))))))))))C

Functional groups:
CC1=C(O)ccC(=O)C1=O, CC=C(C)C, 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: 1.819

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Chemical structure download