CHEBI:66352 - vedelianin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vedelianin
ChEBI ID CHEBI:66352
Definition A stilbenoid derivative isolated from Macaranga alnifolia and Macaranga alnifolia and has been shown to exhibit cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H36O6
Net Charge 0
Average Mass 480.59250
Monoisotopic Mass 480.25119
InChI InChI=1S/C29H36O6/c1-16(2)6-9-20-21(30)11-18(12-22(20)31)8-7-17-10-19-14-25-28(3,4)27(34)24(33)15-29(25,5)35-26(19)23(32)13-17/h6-8,10-13,24-25,27,30-34H,9,14-15H2,1-5H3/b8-7+/t24-,25-,27-,29-/m1/s1
InChIKey OYMAGMAEFPAAGU-HKYLTJPLSA-N
SMILES [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
Metabolite of Species Details
Macaranga alnifolia (NCBI:txid396448) Found in leaf (BTO:0000713). See: DOI
Macaranga alnifolia (NCBI:txid396448) Found in fruit (BTO:0000486). See: PubMed
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vedelianin (CHEBI:66352) has role antineoplastic agent (CHEBI:35610)
vedelianin (CHEBI:66352) has role plant metabolite (CHEBI:76924)
vedelianin (CHEBI:66352) is a cyclic ether (CHEBI:37407)
vedelianin (CHEBI:66352) is a organic heterotricyclic compound (CHEBI:26979)
vedelianin (CHEBI:66352) is a resorcinols (CHEBI:33572)
vedelianin (CHEBI:66352) is a stilbenoid (CHEBI:26776)
Incoming schweinfurthin E (CHEBI:66435) has functional parent vedelianin (CHEBI:66352)
schweinfurthin G (CHEBI:66437) has functional parent vedelianin (CHEBI:66352)
IUPAC Name
(2S,3R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol
Synonyms Sources
(+)-vedelianin ChEBI
2α,3α-dihydroxy-7-(6'-isoprenyl-5',7'-dihydroxystyryl)1,1-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene ChEBI
Registry Number Type Source
5461088 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17326683 PubMed citation Europe PMC
22053119 PubMed citation Europe PMC
Last Modified
27 March 2015