20(S)-tubotaiwine
AlkaPlorer ID: AK035613
Synonym: 'Methyl (14beta)-2,16-didehydrocondyfolan-16-carboxylate', '20(R)-tubotaiwine', 'Dihydrocondylocarpine', 'Condyfolan-16-carboxylic acid, 2,16-didehydro-, methylester', 'Tubotaiwine'
IUPAC Name: methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@H]1C2CCN3CC[C@@]4(C(=C2C(=O)OC)NC2=CC=CC=C24)[C@@H]13
InChI: InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13?,18+,20+/m0/s1
InChIKey: RLAKWLFUMAABBE-BMWAJPDPSA-N
Reference
Indole alkaloids from a callus culture of Tabernaemontana elegans
PubChem CID: 134716702
LOTUS: LTS0274802
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana africana | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 324.42400000000004
TPSA？: 41.57
MolLogP？: 2.9110000000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|