None
AlkaPlorer ID: AK341533
Synonym: None
IUPAC Name: methyl (1S,15R,17R,18S)-17-ethyl-16-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C(O)[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@](C(=O)OC)(C2)[C@H]13
InChI: InChI=1S/C21H26N2O3/c1-3-13-17(24)12-10-21(20(25)26-2)18-15(8-9-23(11-12)19(13)21)14-6-4-5-7-16(14)22-18/h4-7,12-13,17,19,22,24H,3,8-11H2,1-2H3/t12-,13+,17?,19+,21-/m1/s1
InChIKey: BEQJQRIGCYJYIW-SBXZBLEQSA-N
Reference
Gas chromatographic analysis of indole alkaloids from Tabernaemontana hilariana
PubChem CID: 102428240
LOTUS: LTS0041225
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana catharinensis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000002
TPSA？: 65.56
MolLogP？: 2.226
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|