11-Hydroxycoronaridine
AlkaPlorer ID: AK029872
Synonym: ''
IUPAC Name: methyl (1S,15S,17S,18S)-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@@H]2CN3CCC4=C(NC5=CC(O)=CC=C45)[C@](C(=O)OC)(C2)[C@H]13
InChI: InChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-16(6-7-23(11-12)19(13)21)15-5-4-14(24)9-17(15)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13-,19-,21+/m0/s1
InChIKey: GFEUNVMURRUASI-NBEPNCHPSA-N
Reference
Obovatine, a New Bisindole Alkaloid from Stemmadenia obovata
PubChem CID: 44566751
LOTUS: LTS0170928
NPASS: NPC330009
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana calcarea | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000002
TPSA？: 65.56
MolLogP？: 2.9608000000000017
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 4.8 | ug.mL-1 | 10.1021/np020548e |