Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Preferred Name

(+)-8-hydroxycalamenene
Synonyms

(+)-hydroxycalamenene

(+)-8-Hydroxycalamenene

7betaH-cadina-1,3,5-trien-2-ol

(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
Definitions

A sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration.
ID

http://purl.obolibrary.org/obo/CHEBI_8
charge

0
database_cross_reference

Beilstein:5257045

CAS:88642-92-6

KEGG:C09938

KNApSAcK:C00002996

LIPID_MAPS_instance:LMPR0103330006

Reaxys:4671990
definition
A sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration.
formula

C15H22O
has parent hydride

http://purl.obolibrary.org/obo/CHEBI_36513
has_exact_synonym

(+)-8-Hydroxycalamenene

7betaH-cadina-1,3,5-trien-2-ol

(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
has_obo_namespace

chebi_ontology
has_related_synonym

(+)-hydroxycalamenene
id

CHEBI:8
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1
inchikey

FDMKIGKOMRSCAW-NWDGAFQWSA-N
label

(+)-8-hydroxycalamenene
mass

218.33458
monoisotopicmass

218.16707
notation

CHEBI:8
prefLabel

(+)-8-hydroxycalamenene
smiles

CC(C)[C@H]1CC[C@H](C)c2c(O)cc(C)cc12
treeView

http://purl.obolibrary.org/obo/CHEBI_36785

http://purl.obolibrary.org/obo/CHEBI_26658
subClassOf

http://purl.obolibrary.org/obo/CHEBI_36785

http://purl.obolibrary.org/obo/CHEBI_26658
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