CHEBI:210188 - Emindole PC

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Emindole PC
ChEBI ID CHEBI:210188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H47NO2
Net Charge 0
Average Mass 489.744
Monoisotopic Mass 489.36068
InChI InChI=1S/C33H47NO2/c1-9-30(2,3)29-23(22-12-10-11-13-26(22)34-29)20-21-14-15-25-24(31(21,4)5)16-17-28-33(25,8)19-18-27(36-28)32(6,7)35/h9-13,16,21,25,27-28,34-35H,1,14-15,17-20H2,2-8H3/t21-,25+,27+,28-,33-/m0/s1
InChIKey JVKLVZYMLNTAKF-ZJSHZNTFSA-N
SMILES O1[C@@H]2[C@]([C@H]3C(C([C@H](CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)CC3)(C)C)=CC2)(CC[C@@H]1C(O)(C)C)C
Metabolite of Species Details
Aspergillus purpureus (NCBI:txid91485) See: PubMed
ChEBI Ontology
Outgoing Emindole PC (CHEBI:210188) is a organic heterotricyclic compound (CHEBI:26979)
Emindole PC (CHEBI:210188) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[(3R,4aS,8S,10aR,10bS)-7,7,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-benzo[]chromen-3-yl]propan-2-ol
Manual Xref Database
9830836 ChemSpider
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