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ChEBI
> Main
CHEBI:141365 - sclerodol B
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ChEBI Ontology
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ChEBI Name
sclerodol B
ChEBI ID
CHEBI:141365
Definition
A 3β-hydroxy steroid that is (3β,5α)-4,4,14-trimethylandrost-8-en-3-ol which is substituted by a (3
E
,6
S
)-2-methoxy-2-methylhept-3-en-6-yl group at position 17.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
R. Stephan
Supplier Information
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Formula
C31H52O2
Net Charge
0
Average Mass
456.745
Monoisotopic Mass
456.39673
InChI
InChI=1S/C31H52O2/c1-
21(11-
10-
17-
27(2,3)
33-
9)
22-
14-
19-
31(8)
24-
12-
13-
25-
28(4,5)
26(32)
16-
18-
29(25,6)
23(24)
15-
20-
30(22,31)
7/h10,17,21-
22,25-
26,32H,11-
16,18-
20H2,1-
9H3/b17-
10+/t21-
,22-
,25+,26+,29-
,30-
,31+/m1/s1
InChIKey
KMUGSJNEBPVLKO-PWUQRKGSSA-N
SMILES
C1[C@]
2([C@]
(C([C@H]
(C1)
O)
(C)
C)
(CCC3=C2CC[C@@]
4(C)
[C@@]
3(C)
CC[C@@]
4([C@@H]
(C/C=C/C(OC)
(C)
C)
C)
[H]
)
[H]
)
C
Metabolite of Species
Details
Scleroderma
sp.
UFSMSc1
(NCBI:txid436453)
See:
PubMed
Roles Classification
Biological Role
(s):
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sclerodol B (
CHEBI:141365
)
has parent hydride
lanostane (
CHEBI:20265
)
sclerodol B (
CHEBI:141365
)
has role
antifungal agent (
CHEBI:35718
)
sclerodol B (
CHEBI:141365
)
has role
fungal metabolite (
CHEBI:76946
)
sclerodol B (
CHEBI:141365
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
sclerodol B (
CHEBI:141365
)
is a
ether (
CHEBI:25698
)
sclerodol B (
CHEBI:141365
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(3β,23
E
)-25-methoxylanosta-8,23-dien-3-ol
Synonym
Source
sclerodol B
ChEBI
Registry Number
Type
Source
29689270
Reaxys Registry Number
Reaxys
Citation
Type
Source
26826733
PubMed citation
SUBMITTER
Last Modified
17 August 2023