CHEBI:3384 - Carapanaubine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Carapanaubine
ChEBI ID CHEBI:3384
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28N2O6
Net Charge 0
Average Mass 428.479
Monoisotopic Mass 428.19474
InChI InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1
InChIKey QIZNWMMOECVGAP-GHTUMPRVSA-N
SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1cc(OC)c(OC)cc41
ChEBI Ontology
Outgoing Carapanaubine (CHEBI:3384) is a indolizines (CHEBI:38485)
Synonym Source
Carapanaubine KEGG COMPOUND
Manual Xrefs Databases
C00001703 KNApSAcK
C09106 KEGG COMPOUND
View more database links
Registry Number Type Source
1255-02-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014