Voacandimine A
AlkaPlorer ID: AK317797
Synonym: None
IUPAC Name: methyl 41-hydroxy-20,29-dioxa-1,3,13,33-tetrazatridecacyclo[22.18.1.13,6.126,33.02,22.06,14.07,12.017,21.026,30.036,43.037,42.017,45.036,44]pentatetraconta-7,9,11,14,24(43),37(42),38,40-octaene-15-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C4C(CC5=C6N4C4=C(O)C=CC=C4C64CCN6CCC7OCCC7(C5)C64)C4OCCC4(C1)C23
InChI: InChI=1S/C41H44N4O5/c1-48-35(47)24-21-39-13-18-50-33(39)23-19-22-20-38-12-17-49-29(38)9-14-43-15-10-41(36(38)43)26-6-4-8-28(46)30(26)45(32(22)41)34(23)44-16-11-40(37(39)44)25-5-2-3-7-27(25)42-31(24)40/h2-8,23,29,33-34,36-37,42,46H,9-21H2,1H3
InChIKey: NADKOYPTELKZPZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga africana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.826
TPSA？: 86.74000000000001
MolLogP？: 4.764600000000004
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|