Summary

IMPPAT Phytochemical identifier: IMPHY008694

Phytochemical name: (6e,10s)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one

Synonymous chemical names:
9-oxo-nerolidol, 9-oxonerolidol

External chemical identifiers:
CID:73331190, ZINC:ZINC000014505787, MolPort-039-052-457

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Chemical structure information

SMILES:
C=C[C@](CC/C=C(/CC(=O)C=C(C)C)C)(O)C

InChI:
InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1

InChIKey:
NYBCPVODSGRKRC-XETPBLJFSA-N

DeepSMILES:
C=C[C@]CC/C=C/CC=O)C=CC)C)))))C)))))O)C

Functional groups:
C/C=C(/C)C, C=CC, CC(=O)C=C(C)C, CO

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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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.995

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Chemical structure download