Secamine; 16-De(methoxycarbonyl), 16-hydroxy, 15,15',20,20'-tetrahydro
AlkaPlorer ID: AK313179
Synonym: 16-Hydroxy-16-decarbomethoxytetrahydrosecamine
IUPAC Name: None
Structure
SMILES: CCC1CCCN(CCC2=C(C3(C(=O)OC)CCC(O)C4=C(CCN5CCCC(CC)C5)C5=CC=CC=C5N43)NC3=CC=CC=C23)C1
InChI: InChI=1S/C40H54N4O3/c1-4-28-12-10-22-42(26-28)24-19-32-31-15-7-9-17-35(31)44-37(32)36(45)18-21-40(44,39(46)47-3)38-33(30-14-6-8-16-34(30)41-38)20-25-43-23-11-13-29(5-2)27-43/h6-9,14-17,28-29,36,41,45H,4-5,10-13,18-27H2,1-3H3
InChIKey: JVJICXOCIAMOSG-UHFFFAOYSA-N
Reference
CAS: 88607-51-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma excelsum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.8970000000002
TPSA？: 73.73
MolLogP？: 7.195400000000009
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|