Summary

IMPPAT Phytochemical identifier: IMPHY017920

Phytochemical name: 14-Hydroxy-z-caryophyllene

Synonymous chemical names:
14 hydroxy-(z)-caryophyllene, 14-hydroxy-(z)-caryophyllene, 14-hydroxy-z-caryophyllene

Chemical structure information

SMILES:
OCC1CCCC(C2C(/C=C/1)C(C2)(C)C)C

InChI:
InChI=1S/C15H26O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3/b8-7+

InChIKey:
GMTOMMKQRBMRFT-BQYQJAHWSA-N

DeepSMILES:
OCCCCCCCC/C=C/9))CC4)C)C))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC2CCCCC1

Scaffold Graph/Node level:
C1CCCC2CCC2CCC1

Scaffold Graph level:
C1CCCC2CCC2CCC1

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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: Himachalane sesquiterpenoids

NP-Likeness score: 2.065

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Chemical structure download