catharanthine
AlkaPlorer ID: AK003437
Synonym: '', '(+)-3,4-Didehydrocoronaridine', 'Catharanthine', 'Catharantin; Catharanthine'
IUPAC Name: methyl (1R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Structure
SMILES: CCC1=CC2CN3CCC4=C(NC5=CC=CC=C45)[C@@](C(=O)OC)(C2)[C@@H]13
InChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13?,19-,21+/m1/s1
InChIKey: CMKFQVZJOWHHDV-QYWJTTNJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus longifolius | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.4350000000002
TPSA？: 45.33
MolLogP？: 3.175300000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 50118.7 | nM | None |
| None | Unchecked | Potency | 7943.3 | nM | None |