Aspidoalbidine; N-Ac
AlkaPlorer ID: AK289515
Synonym: N-Acetylaspidoalbidine, Dehydroxyhaplocidine
IUPAC Name: 1-(17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl)ethanone
Structure
SMILES: CC(=O)N1C2=CC=CC=C2C23CCN4CCCC5(CCOC452)CCC13
InChI: InChI=1S/C21H26N2O2/c1-15(24)23-17-6-3-2-5-16(17)20-10-13-22-12-4-8-19(9-7-18(20)23)11-14-25-21(19,20)22/h2-3,5-6,18H,4,7-14H2,1H3
InChIKey: APHMCINPFLAAQH-UHFFFAOYSA-N
Reference
Alkaloids from<i>Aspidosperma</i>Species from Bolivia
PubChem CID: 628300
CAS: 56197-21-8
LOTUS: LTS0183770
COCONUT: CNP0176109.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aspidosperma pyrifolium | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4510000000001
TPSA？: 32.78
MolLogP？: 3.0558000000000014
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|