Caesanine A
AlkaPlorer ID: AK291409
Synonym: None
IUPAC Name: methyl 9-methyl-5-oxa-16-azapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6,15-triene-14-carboxylate
Structure
SMILES: COC(=O)C12C=NCC3(CCC1)C1CC4=C(C=CO4)C(C)C1CCC23
InChI: InChI=1S/C21H27NO3/c1-13-14-4-5-18-20(16(14)10-17-15(13)6-9-25-17)7-3-8-21(18,12-22-11-20)19(23)24-2/h6,9,12-14,16,18H,3-5,7-8,10-11H2,1-2H3
InChIKey: LLVMHQOQVUMUSA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caesalpinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Caesalpinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4510000000001
TPSA？: 51.8
MolLogP？: 3.995700000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|