Summary

IMPPAT Phytochemical identifier: IMPHY015167

Phytochemical name: 14-Hydroxy-9-epi-caryophyllene

Synonymous chemical names:
14-hydroxy-9-epi-caryophyllene

External chemical identifiers:
CID:12300118

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Chemical structure information

SMILES:
OC/C/1=CCCC(=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+/m0/s1

InChIKey:
MGIQTXDHQJGPEZ-PJWHXWNJSA-N

DeepSMILES:
OC/C=CCCC=C)[C@H][C@@H]CC9))CC4)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:
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