Summary

IMPPAT Phytochemical identifier: IMPHY015168

Phytochemical name: 14-Hydroxy-alpha-humulene

Synonymous chemical names:
14-hydroxy-α-humulene

External chemical identifiers:
CID:5352485

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Chemical structure information

SMILES:
OCC1(C)/C=C/C/C(=C/CC/C(=C/C1)/C)/C

InChI:
InChI=1S/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+

InChIKey:
YLOBZQJVNNUEPZ-NYAJVKMDSA-N

DeepSMILES:
OCCC)/C=C/C/C=C/CC/C=C/C%11))/C)))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=CCCC=CC1

Scaffold Graph/Node level:
C1CCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCC1

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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

NP Classifier Class: Humulane sesquiterpenoids

NP-Likeness score: 3.154

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Chemical structure download