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ChEBI
> Main
CHEBI:68624 -
cis
-abienol
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ChEBI Name
cis
-abienol
ChEBI ID
CHEBI:68624
ChEBI ASCII Name
cis-abienol
Definition
A labdane diterpenoid in which the labdane skeleton has double bonds at C-12 and C-14 (the former with
Z
-stereochemistry) and carries a hydroxy group at position C-8.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C20H34O
Net Charge
0
Average Mass
290.48340
Monoisotopic Mass
290.26097
InChI
InChI=1S/C20H34O/c1-
7-
15(2)
9-
10-
17-
19(5)
13-
8-
12-
18(3,4)
16(19)
11-
14-
20(17,6)
21/h7,9,16-
17,21H,1,8,10-
14H2,2-
6H3/b15-
9-
/t16-
,17+,19-
,20+/m0/s1
InChIKey
ZAZVCYBIABTSJR-SZAPHMHZSA-N
SMILES
[H][C@@]12CC[C@@](C)(O)[C@H](C\C=C(\C)C=C)[C@@]1(C)CCCC2(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cis
-abienol (
CHEBI:68624
)
has role
metabolite (
CHEBI:25212
)
cis
-abienol (
CHEBI:68624
)
is a
labdane diterpenoid (
CHEBI:36770
)
cis
-abienol (
CHEBI:68624
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(1
R
,2
R
,4a
S
,8a
S
)-
2,5,5,8a-
tetramethyl-
1-
[(2
Z
)-
3-
methylpenta-
2,4-
dien-
1-
yl]decahydronaphthalen-
2-
ol
Synonyms
Sources
(12Z)-Abienol
ChemIDplus
(Z)-Abienol
ChemIDplus
(Z)-Labda-12,14-dien-8-ol
ChemIDplus
cis
-abienol
UniProt
Registry Numbers
Types
Sources
17990-16-8
CAS Registry Number
ChemIDplus
2052449
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20014852
PubMed citation
Europe PMC
21299139
PubMed citation
Europe PMC
22129092
PubMed citation
Europe PMC
22337889
PubMed citation
SUBMITTER
22685082
PubMed citation
Europe PMC
6315213
PubMed citation
Europe PMC
8311442
PubMed citation
Europe PMC
IND20495864
Agricola citation
Europe PMC
IND83050722
Agricola citation
Europe PMC
IND91018865
Agricola citation
Europe PMC
Last Modified
09 October 2012