CHEBI:209229 - Penicilindole A

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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 Penicilindole A
ChEBI ID CHEBI:209229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H41NO2
Net Charge 0
Average Mass 423.641
Monoisotopic Mass 423.31373
InChI InChI=1S/C28H41NO2/c1-19(2)9-8-14-28-24(17-21-18-29-23-11-7-6-10-22(21)23)27(5,31)16-15-26(28,4)20(3)12-13-25(28)30/h6-7,9-11,18,20,24-25,29-31H,8,12-17H2,1-5H3/t20-,24-,25+,26+,27-,28-/m1/s1
InChIKey GFSPEIJDKJGERO-FSTPOKOHSA-N
SMILES O[C@]1([C@H]([C@]2([C@@]([C@@H](CC[C@@H]2O)C)(C)CC1)CCC=C(C)C)CC=3C4=C(C=CC=C4)NC3)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penicilindole A (CHEBI:209229) is a indoles (CHEBI:24828)
IUPAC Name
(1S,4R,4aS,7R,8S,8aS)-8-(1H-indol-3-ylmethyl)-4,4a,7-trimethyl-8a-(4-methylpent-3-enyl)-2,3,4,5,6,8-hexahydro-1H-naphthalene-1,7-diol
Manual Xref Database
65323287 ChemSpider
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