Summary

IMPPAT Phytochemical identifier: IMPHY000815

Phytochemical name: Dihydro-7-hydroxymyoporone

Synonymous chemical names:
1-(3-furanyl)-6, 7-dihydroxy-4, 8-dimethyl-1-nonanone

External chemical identifiers:
CID:47945, ChEBI:143032

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Chemical structure information

SMILES:
CC(CC(C(C(C)C)O)O)CCC(=O)c1cocc1

InChI:
InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3

InChIKey:
PRLJTIPWGNRUNG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C))O))O)))CCC=O)ccocc5

Functional groups:
CO, cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP-Likeness score: 1.39

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Chemical structure download