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CHEBI:62416 - dammarenediol-II
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ChEBI Name
dammarenediol-II
ChEBI ID
CHEBI:62416
Definition
A tetracyclic triterpenoid that is dammarane which has a double bond between positions 24 and 25, and is substituted by hydroxy groups at the 3β- and 20- positions.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H52O2
Net Charge
0
Average Mass
444.73270
Monoisotopic Mass
444.39673
InChI
InChI=1S/C30H52O2/c1-
20(2)
10-
9-
16-
30(8,32)
22-
13-
18-
28(6)
21(22)
11-
12-
24-
27(5)
17-
15-
25(31)
26(3,4)
23(27)
14-
19-
29(24,28)
7/h10,21-
25,31-
32H,9,11-
19H2,1-
8H3/t21-
,22+,23+,24-
,25+,27+,28-
,29-
,30+/m1/s1
InChIKey
NLHQJXWYMZLQJY-TXNIMPHESA-N
SMILES
[H]
[C@@]
1(CC[C@]
2(C)
[C@]
1([H]
)
CC[C@]
1([H]
)
[C@@]
3(C)
CC[C@H]
(O)
C(C)
(C)
[C@]
3([H]
)
CC[C@@]
21C)
[C@@]
(C)
(O)
CCC=C(C)
C
Metabolite of Species
Details
Aglaia abbreviata
(IPNI:576946-1)
Found in stem
(BTO:0001300)
. 95% ethanolic extract of air-dried stems See:
PubMed
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
dammarenediol-II (
CHEBI:62416
)
has parent hydride
dammarane (
CHEBI:36488
)
dammarenediol-II (
CHEBI:62416
)
has role
metabolite (
CHEBI:25212
)
dammarenediol-II (
CHEBI:62416
)
is a
secondary alcohol (
CHEBI:35681
)
dammarenediol-II (
CHEBI:62416
)
is a
tertiary alcohol (
CHEBI:26878
)
dammarenediol-II (
CHEBI:62416
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
Incoming
(20
S
)-20-
O
-(β-
D
-glucosyl)-3-hydroxydammarene (
CHEBI:142484
)
has functional parent
dammarenediol-II (
CHEBI:62416
)
IUPAC Name
(3β)-dammar-24-ene-3,20-diol
Synonyms
Sources
(20
S
)-dammar-24-ene-3β,20-diol
ChEBI
(20
S
)-dammarenediol
ChEBI
3β-
gluco
dammar-24-ene-3,20-diol
ChemIDplus
8-methyl-18-nor-lanost-24-en-3β,20-diol
ChEBI
8-methyl-18-nor-lanost-24-ene-3β,20-diol
ChEBI
dammar-24-ene-20(S
S
),3β-diol
ChEBI
dammar-24-ene-3β,20-diol
ChemIDplus
dammarenediol
ChemIDplus
dammarenediol II
ChemIDplus
dammarenediol-II
UniProt
Registry Numbers
Types
Sources
14351-29-2
CAS Registry Number
ChemIDplus
2511034
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16962103
PubMed citation
Europe PMC
17088293
PubMed citation
Europe PMC
2828553
PubMed citation
Europe PMC
8124758
PubMed citation
Europe PMC
Last Modified
01 November 2018