Summary

IMPPAT Phytochemical identifier: IMPHY013574

Phytochemical name: 14-Hydroxy-9-epi-(E)-caryophyllene

Synonymous chemical names:
(e)-14-hydroxy-9-epi-caryophyllene, 1 4-hydroxy-9-epi-(e)-caryophyllene, 14-hydroxy-9-epi(e)-caryophyllene, 14-hydroxy-9-epi-( e )-caryophyllene, 14-hydroxy-9-epi-(e)- caryophylleneb, 14-hydroxy-9-epi-(e)-caryophyllene, 14-hydroxy-9-epi-(e)-caryophyllene*, 14-hydroxy-9-epi-e-caryophyllene, 14-hydroxy-9-epi-trans-caryophyllene, caryophyllen (14-hydroxy-9-epi-, caryophyllene<14-hydroxy-9-epi-(e)>

External chemical identifiers:
CID:5352484

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Chemical structure information

SMILES:
OCC1(C)CC2C1CC/C(=CCCC2=C)/C

InChI:
InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-

InChIKey:
DFMBJBXEHZSTJQ-WZUFQYTHSA-N

DeepSMILES:
OCCC)CCC4CC/C=CCCC9=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: 3.55

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Chemical structure download