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CHEBI:72638 - 1-deoxycapsidiol
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ChEBI Name
1-deoxycapsidiol
ChEBI ID
CHEBI:72638
Definition
An eremophilane sesquiterpenoid that is (+)-5-
epi
-aristolochene carrying an additional 3α-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24O
Net Charge
0
Average Mass
220.35050
Monoisotopic Mass
220.18272
InChI
InChI=1S/C15H24O/c1-
10(2)
12-
5-
6-
13-
7-
8-
14(16)
11(3)
15(13,4)
9-
12/h6,11-
12,14,16H,1,5,7-
9H2,2-
4H3/t11-
,12-
,14-
,15-
/m1/s1
InChIKey
TWGYXCCDWSORFO-QHSBEEBCSA-N
SMILES
C[C@@H]1[C@H](O)CCC2=CC[C@H](C[C@]12C)C(C)=C
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-deoxycapsidiol (
CHEBI:72638
)
has functional parent
(+)-5-
epi
-aristolochene (
CHEBI:23925
)
1-deoxycapsidiol (
CHEBI:72638
)
has role
plant metabolite (
CHEBI:76924
)
1-deoxycapsidiol (
CHEBI:72638
)
is a
eremophilane sesquiterpenoid (
CHEBI:36753
)
IUPAC Name
(1
S
,2
R
,7
R
,8a
R
)-
1,8a-
dimethyl-
7-
(prop-
1-
en-
2-
yl)-
1,2,3,4,6,7,8,8a-
octahydronaphthalen-
2-
ol
Synonyms
Sources
(+)-1-deoxycapsidiol
ChEBI
3α,4β
H
-eremophila-9,11-diene-3-ol
ChEBI
3α-hydroxy-5-epiaristolochene
MetaCyc
epiaristolochen-3α-ol
ChEBI
Manual Xref
Database
CPD-4662
MetaCyc
View more database links
Registry Number
Type
Source
3543289
Reaxys Registry Number
Reaxys
Citation
Type
Source
11556809
PubMed citation
Europe PMC
Last Modified
04 March 2015