Singapurensine A; 12-Methoxy
AlkaPlorer ID: AK313585
Synonym: Kopsidine C
IUPAC Name: dimethyl 15,20-dihydroxy-11-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.01,16.02,6.03,18.06,14.07,12]docosa-7(12),8,10-triene-13,15-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C(OC)C=CC=C2C23CCN4C5CC(O)C6(CCC12C(O)(C(=O)OC)C6O5)C43
InChI: InChI=1S/C24H28N2O8/c1-31-13-6-4-5-12-16(13)26(20(29)33-3)23-8-7-21-14(27)11-15(25-10-9-22(12,23)17(21)25)34-18(21)24(23,30)19(28)32-2/h4-6,14-15,17-18,27,30H,7-11H2,1-3H3
InChIKey: YYPVYHKEQSRCOM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 472.4940000000003
TPSA？: 118.0
MolLogP？: 0.5198999999999997
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|