Modestanine; 11-Methoxy, 19ξ-hydroxy
AlkaPlorer ID: AK306844
Synonym: 19-Hydroxyvandrikine, 20-Hydroxyvandrikine
IUPAC Name: methyl 13-hydroxy-5-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3C23CCN2CCC4OCC(O)C4(C1)C23
InChI: InChI=1S/C22H26N2O5/c1-27-12-3-4-14-15(9-12)23-18-13(19(26)28-2)10-22-16(25)11-29-17(22)5-7-24-8-6-21(14,18)20(22)24/h3-4,9,16-17,20,23,25H,5-8,10-11H2,1-2H3
InChIKey: XKMQBUOCEZOGSD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Craspidospermum verticillatum | Craspidospermum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000002
TPSA？: 80.26
MolLogP？: 1.4133999999999995
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|