N-Deformyldichotamine; O-De-Me, N-Ac
AlkaPlorer ID: AK294686
Synonym: 18-Oxohaplocidine
IUPAC Name: 5-acetyl-7-hydroxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one
Structure
SMILES: CC(=O)N1C2=C(O)C=CC=C2C23CCN4CCCC5(CCC12)CC(=O)OC453
InChI: InChI=1S/C21H24N2O4/c1-13(24)23-16-6-8-19-7-3-10-22-11-9-20(16,21(19,22)27-17(26)12-19)14-4-2-5-15(25)18(14)23/h2,4-5,16,25H,3,6-12H2,1H3
InChIKey: GVFCLBCTHLIFGT-UHFFFAOYSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
PubChem CID: 163104194
CAS: 88607-54-9
LOTUS: LTS0055683
COCONUT: CNP0424479.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma marcgravianum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.43300000000016
TPSA？: 70.08000000000001
MolLogP？: 2.2880000000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|