CHEBI:65978 - gnidilatimonoein

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ChEBI Name gnidilatimonoein
ChEBI ID CHEBI:65978
Definition A diterpenoid isolated from the leaves of Daphne mucronata and exhibits anti-tumour and anti-metastatic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H50O9
Net Charge 0
Average Mass 662.80890
Monoisotopic Mass 662.34548
InChI InChI=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
InChIKey KEUMOFLVVHIGDK-VTQXMHCUSA-N
SMILES [H][C@]12OC3(OC4(C(C)C(OC(=O)\C=C\c5ccccc5)[C@@]1(O3)C(C)=C)C1C=C(C)CC1(O)C(O)C1(CO)OC1C24)\C=C\CCCCCCC
Metabolite of Species Details
Daphne mucronata (IPNI:831300-1) Found in leaf (BTO:0000713). 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.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
10048596 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14761668 PubMed citation Europe PMC
15344420 PubMed citation Europe PMC
17366739 PubMed citation Europe PMC
21476989 PubMed citation Europe PMC
22615651 PubMed citation Europe PMC
Last Modified
08 February 2013