CHEBI:66670 - maoecrystal Z

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ChEBI Name maoecrystal Z
ChEBI ID CHEBI:66670
Definition A tetracyclic diterpenoid isolated from the leaves of a Chinese medicinal herb Isodon eriocalyx and has been shown to exhibit cytotoxicity towards human tumour cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H30O6
Net Charge 0
Average Mass 390.47000
Monoisotopic Mass 390.20424
InChI InChI=1S/C22H30O6/c1-12(10-23)14-8-15(28-13(2)24)16-21-7-5-6-20(3,4)17(21)18(25)22(16,9-14)19(26)27-11-21/h10,14-18,25H,1,5-9,11H2,2-4H3/t14-,15-,16+,17-,18+,21-,22+/m1/s1
InChIKey WAOUILKFOLDIAX-NJOKITKISA-N
SMILES [H][C@]12[C@H](O)[C@]34C[C@@H](C[C@@H](OC(C)=O)[C@@]3([H])[C@@]1(CCCC2(C)C)COC4=O)C(=C)C=O
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing maoecrystal Z (CHEBI:66670) has role antineoplastic agent (CHEBI:35610)
maoecrystal Z (CHEBI:66670) has role metabolite (CHEBI:25212)
maoecrystal Z (CHEBI:66670) is a δ-lactone (CHEBI:18946)
maoecrystal Z (CHEBI:66670) is a acetate ester (CHEBI:47622)
maoecrystal Z (CHEBI:66670) is a aldehyde (CHEBI:17478)
maoecrystal Z (CHEBI:66670) is a bridged compound (CHEBI:35990)
maoecrystal Z (CHEBI:66670) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(4aS,4bS,5R,7S,8aS,9S,9aR)-9-hydroxy-1,1-dimethyl-10-oxo-7-(3-oxoprop-1-en-2-yl)decahydro-4bH-4a,8a-(methanooxymethano)fluoren-5-yl acetate
Synonym Source
6β-hydroxy-11α-acetoxy-6,7:8,15-di-seco-7,20-olide-6,8-cyclo-ent-kaur-16-en-15-aldehyde ChEBI
Registry Number Type Source
10606514 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17020288 PubMed citation Europe PMC
Last Modified
04 April 2013