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CHEBI:65978 - gnidilatimonoein

ChEBI IDCHEBI:65978
ChEBI Namegnidilatimonoein
Stars
DefinitionA diterpenoid isolated from the leaves of Daphne mucronata and exhibits anti-tumour and anti-metastatic activities.
Last Modified8 February 2013
DownloadsMolfile
FormulaC39H50O9
Net Charge0
Average Mass662.820
Monoisotopic Mass662.34548
SMILES[H][C@]12OC3(/C=C/CCCCCCC)OC4(C(C)C(OC(=O)/C=C/c5ccccc5)[C@]1(C(=C)C)O3)C1C=C(C)CC1(O)C(O)C1(CO)OC1C42
InChIInChI=1S/C39H50O9/c1-6-7-8-9-10-11-15-20-37-46-33-30-32-36(23-40,45-32)34(42)35(43)22-25(4)21-28(35)39(30,48-37)26(5)31(38(33,47-37)24(2)3)44-29(41)19-18-27-16-13-12-14-17-27/h12-21,26,28,30-34,40,42-43H,2,6-11,22-23H2,1,3-5H3/b19-18+,20-15+/t26?,28?,30?,31?,32?,33-,34?,35?,36?,37?,38+,39?/m1/s1
InChIKeyKEUMOFLVVHIGDK-VTQXMHCUSA-N
Species of MetaboliteComponentSourceComments
Daphne mucronata (IPNI:831300-1) leaf (BTO:0000713) PubMed (17366739)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
gnidilatimonoein (CHEBI:65978) has functional parent trans-cinnamic acid (CHEBI:35697)
gnidilatimonoein (CHEBI:65978) has role antineoplastic agent (CHEBI:35610)
gnidilatimonoein (CHEBI:65978) has role apoptosis inducer (CHEBI:68495)
gnidilatimonoein (CHEBI:65978) has role metabolite (CHEBI:25212)
gnidilatimonoein (CHEBI:65978) is a bridged compound (CHEBI:35990)
gnidilatimonoein (CHEBI:65978) is a cinnamate ester (CHEBI:36087)
gnidilatimonoein (CHEBI:65978) is a diterpenoid (CHEBI:23849)
gnidilatimonoein (CHEBI:65978) is a epoxide (CHEBI:32955)
gnidilatimonoein (CHEBI:65978) is a organic heterohexacyclic compound (CHEBI:51914)
gnidilatimonoein (CHEBI:65978) is a triol (CHEBI:27136)
IUPAC Name 
(3aR,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-[(1E)-non-1-en-1-yl]-10a-(prop-1-en-2-yl)-3a,3c,4a,5,5a,6,8a,9,10,10a-decahydro-3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl (2E)-3-phenylprop-2-enoate
Registry NumbersSources
Reaxys:10048596Reaxys
Citations