Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011085

Phytochemical name: 14 hydroxy-(z)-caryophyllene

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

External chemical identifiers:
CID:CID_12300116

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Chemical structure information

SMILES:
OC/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C

InChI:
InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+/t13-,14-/m1/s1

InChIKey:
MGIQTXDHQJGPEZ-BARLUBHISA-N

DeepSMILES:
OC/C=C/CCC=C)[C@@H][C@@H]CC\9))CC4)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC=CCCC2CCC12

Scaffold Graph/Node level:
CC1CCCCCCC2CCC12

Scaffold Graph level:
CC1CCCCCCC2CCC12

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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: Caryophyllane sesquiterpenoids

NP-Likeness score: 3.258

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Chemical structure download