Summary

IMPPAT Phytochemical identifier: IMPHY004662

Phytochemical name: Dihydromyoporone

Synonymous chemical names:
dihydromyoporone

External chemical identifiers:
CID:51551, ChEBI:174340

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Chemical structure information

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

InChI:
InChI=1S/C15H24O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12,14,16H,4-5,8-9H2,1-3H3

InChIKey:
BROZQMCDYUJKFQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C)))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-Likeness score: 1.271

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Chemical structure download