Caracurine VII; 17-Epimer, O17,Na-di-Ac
AlkaPlorer ID: AK291632
Synonym: Jobertine, O-Acetyldiaboline B
IUPAC Name: (11-acetyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl) acetate
Structure
SMILES: CC(=O)OC1OCC=C2CN3CCC45C6=CC=CC=C6N(C(C)=O)C4C1C2CC35
InChI: InChI=1S/C23H26N2O4/c1-13(26)25-18-6-4-3-5-17(18)23-8-9-24-12-15-7-10-28-22(29-14(2)27)20(21(23)25)16(15)11-19(23)24/h3-7,16,19-22H,8-12H2,1-2H3
InChIKey: ZRBMSORDEMTJNR-UHFFFAOYSA-N
Reference
CAS: 2864-87-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos jobertiana | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.4710000000001
TPSA？: 59.080000000000005
MolLogP？: 2.2293000000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|