19R-Hydroxy-11-methoxy-tabersonine
AlkaPlorer ID: AK036314
Synonym: 'Vandrikidine'
IUPAC Name: methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23
InChI: InChI=1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20+,21+,22+/m1/s1
InChIKey: ASAFZNAXYPDIJR-MCLJMYSDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus suaveolens | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.4600000000001
TPSA？: 71.03
MolLogP？: 2.2006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 19700.0 | nM | 10.1021/np2009169 |
| Homo sapiens | HL-60 | IC50 | 6300.0 | nM | 10.1021/np2009169 |
| Homo sapiens | MCF7 | IC50 | 21300.0 | nM | 10.1021/np2009169 |
| Homo sapiens | SMMC-7721 | IC50 | 16000.0 | nM | 10.1021/np2009169 |
| Homo sapiens | SW480 | IC50 | 13100.0 | nM | 10.1021/np2009169 |