16-methoxytabersonine
AlkaPlorer ID: AK003782
Synonym: '16-Methoxytabersonine', '(-)-11-Methoxytabersonine', '11-Methoxytabersonine'
IUPAC Name: methyl (1R,12R,19S)-12-ethyl-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: CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)NC1=CC(OC)=CC=C14)[C@@H]32
InChI: InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1
InChIKey: AEXBRBWRPNGGEZ-FKBYEOEOSA-N
Reference
PubChem CID: 443356
LOTUS: LTS0181164
SuperNatural Ⅲ: SN0003809-01
NPASS: NPC22476
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus tenuicaudatus | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Melodinus suaveolens | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.4610000000001
TPSA？: 50.8
MolLogP？: 3.229800000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1000.0 | nM | 10.1021/np2009169 |
| Homo sapiens | A549 | IC50 | 12800.0 | nM | 10.1021/np100086x |
| Homo sapiens | HL-60 | IC50 | 200.0 | nM | 10.1021/np100086x |
| Homo sapiens | HL-60 | IC50 | 500.0 | nM | 10.1021/np2009169 |
| Homo sapiens | MCF7 | IC50 | 200.0 | nM | 10.1021/np2009169 |
| Homo sapiens | MCF7 | IC50 | 2100.0 | nM | 10.1021/np100086x |
| Homo sapiens | SMMC-7721 | IC50 | 1100.0 | nM | 10.1021/np2009169 |
| Homo sapiens | SMMC-7721 | IC50 | 13100.0 | nM | 10.1021/np100086x |
| Homo sapiens | SW480 | IC50 | 2400.0 | nM | 10.1021/np2009169 |
| Homo sapiens | SW480 | IC50 | 12700.0 | nM | 10.1021/np100086x |