CHEBI:66591 - longipedumin A

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ChEBI Name longipedumin A
ChEBI ID CHEBI:66591
Definition A lignan isolated from the roots and stems of Kadsura longipedunculata and has been shown to exhibit inhibitory activity against HIV-1 protease.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H32O8
Net Charge 0
Average Mass 532.58100
Monoisotopic Mass 532.20972
InChI InChI=1S/C31H32O8/c1-17-13-20-14-22(34-3)29(35-4)27(33)25(20)26-21(15-23-30(31(26)36-5)38-16-37-23)28(18(17)2)39-24(32)12-11-19-9-7-6-8-10-19/h6-12,14-15,17-18,28,33H,13,16H2,1-5H3/b12-11+/t17-,18-,28-/m1/s1
InChIKey MWCNCFCBBXKOCI-CMTGZUNTSA-N
SMILES COc1cc2C[C@@H](C)[C@@H](C)[C@@H](OC(=O)\C=C\c3ccccc3)c3cc4OCOc4c(OC)c3-c2c(O)c1OC
Metabolite of Species Details
Kadsura longipedunculata (NCBI:txid124782) Found in stem (BTO:0001300). See: PubMed
Kadsura longipedunculata (NCBI:txid124782) Found in root (BTO:0001188). 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.
HIV protease inhibitor
An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing longipedumin A (CHEBI:66591) has role HIV protease inhibitor (CHEBI:35660)
longipedumin A (CHEBI:66591) has role metabolite (CHEBI:25212)
longipedumin A (CHEBI:66591) is a aromatic ether (CHEBI:35618)
longipedumin A (CHEBI:66591) is a cinnamate ester (CHEBI:36087)
longipedumin A (CHEBI:66591) is a lignan (CHEBI:25036)
longipedumin A (CHEBI:66591) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
(6R,7R,8R)-1-hydroxy-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl (2E)-3-phenylprop-2-enoate
Citation Waiting for Citations Type Source
16394567 PubMed citation Europe PMC
Last Modified
25 March 2013