CHEBI:65605 - celasdin B

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ChEBI Name celasdin B
ChEBI ID CHEBI:65605
Definition A pentacyclic triterpenoid that is friedelin substituted by hydroxy groups at positions 16 and 28. It is isolated from the stems of Celastrus hindsii and exhibits anti-HIV activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O3
Net Charge 0
Average Mass 458.71620
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-19-20(32)8-9-21-26(19,4)11-10-22-27(21,5)13-14-28(6)23-16-25(2,3)12-15-30(23,18-31)24(33)17-29(22,28)7/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23-,24+,26+,27-,28-,29+,30+/m0/s1
InChIKey ZGPGTQGECMDFNI-OJEITCFUSA-N
SMILES [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]12C
Metabolite of Species Details
Celastrus hindsii (NCBI:txid489979) Found in stem (BTO:0001300). See: DOI
Roles Classification
Biological Role(s): anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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 celasdin B (CHEBI:65605) has role anti-HIV agent (CHEBI:64946)
celasdin B (CHEBI:65605) has role metabolite (CHEBI:25212)
celasdin B (CHEBI:65605) is a cyclic terpene ketone (CHEBI:36130)
celasdin B (CHEBI:65605) is a diol (CHEBI:23824)
celasdin B (CHEBI:65605) is a pentacyclic triterpenoid (CHEBI:25872)
celasdin B (CHEBI:65605) is a primary alcohol (CHEBI:15734)
celasdin B (CHEBI:65605) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4R,4aS,6aS,6bR,8R,8aS,12aS,12bS,14aS,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethylicosahydropicen-3(2H)-one
Registry Number Type Source
7660622 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
9115698 PubMed citation Europe PMC
9525100 PubMed citation Europe PMC
Last Modified
10 December 2012