CHEBI:189187 - Cortistatin L

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Cortistatin L
ChEBI ID CHEBI:189187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36N2O2
Net Charge 0
Average Mass 456.630
Monoisotopic Mass 456.27768
InChI InChI=1S/C30H36N2O2/c1-28-10-8-22-15-23-16-26(33)25(32(2)3)17-29(23)11-12-30(22,34-29)27(28)7-6-24(28)20-5-4-19-9-13-31-18-21(19)14-20/h4-5,9,13-16,18,24-27,33H,6-8,10-12,17H2,1-3H3/t24-,25+,26+,27-,28-,29-,30-/m1/s1
InChIKey ZIMMLBWISNFYGV-KDHYMLRHSA-N
SMILES O1[C@@]23[C@]4([C@@]([C@H](CC4)C5=CC6=C(C=C5)C=CN=C6)(CCC2=CC=7[C@@]1(CC3)C[C@H](N(C)C)[C@@H](O)C7)C)[H]
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Cortistatin L (CHEBI:189187) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1S,2R,5S,6R,13S,14S,16R)-14-(dimethylamino)-5-isoquinolin-7-yl-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-13-ol
Manual Xref Database
20568347 ChemSpider
View more database links