Kimbasine A; O-Debutanoyl, O-Ac
AlkaPlorer ID: AK303613
Synonym: Kimbasine B
IUPAC Name: methyl 3-acetyloxy-6,6,10,18-tetramethyl-21-oxa-20-azahexacyclo[16.2.1.02,11.02,15.05,10.016,20]henicosane-14-carboxylate
Structure
SMILES: COC(=O)C1CCC2C3(C)CCCC(C)(C)C3CC(OC(C)=O)C23C1C1CC2(C)CN1C3O2
InChI: InChI=1S/C27H41NO5/c1-15(29)32-20-12-19-24(2,3)10-7-11-26(19,5)18-9-8-16(22(30)31-6)21-17-13-25(4)14-28(17)23(33-25)27(18,20)21/h16-21,23H,7-14H2,1-6H3
InChIKey: RFNQVBPTBOQXHR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Igernella notabilis | Igernella | Dictyodendrillidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 459.6270000000002
TPSA？: 65.07000000000001
MolLogP？: 4.159100000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|