Dihydrocorynantheine
AlkaPlorer ID: AK001510
Synonym: '', 'methyl(E)-2-(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo2,3-aquinolizin-2-yl-3-methoxyprop-2-enoate', 'Corynantheidine', 'Dihydrocorynantheine', 'Hirsutine', 'Isocorynantheidine', '18,19-Dihydrocorynantheine', 'hirsutine', 'Hirsutine(Mitragyna)', 'methyl(E)-2-(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo2,3-aquinolizin-2-yl-3-methoxyprop-2-enoate'
IUPAC Name: methyl (E)-2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: CC[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChI: InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20-/m0/s1
InChIKey: NMLUOJBSAYAYEM-XPOGPMDLSA-N
Reference
Three New Alkaloids from the Leaves of <i>Uncaria rhynchophylla</i>
PubChem CID: 3039336
CAS: 50439-68-4
LOTUS: LTS0024144
NPASS: NPC93956
data_source: manually
Source
Properties Information
Molecule Weight: 368.47700000000015
TPSA？: 54.56
MolLogP？: 3.816500000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HepG2 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HT-29 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | MCF7 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |