Crassanine
AlkaPlorer ID: AK190632
Synonym: '(all-xi)-Conopharyngine oxindole,'
IUPAC Name: methyl (1'R,3S,7'R,8'S,9'S)-9'-ethyl-5,6-dimethoxy-2-oxospiro[1H-indole-3,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
Structure
SMILES: CC[C@H]1C[C@H]2CN3CC[C@@]4(C(O)=NC5=CC(OC)=C(OC)C=C54)[C@](C(=O)OC)(C2)[C@H]13
InChI: InChI=1S/C23H30N2O5/c1-5-14-8-13-11-23(21(27)30-4)19(14)25(12-13)7-6-22(23)15-9-17(28-2)18(29-3)10-16(15)24-20(22)26/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,24,26)/t13-,14+,19+,22-,23-/m1/s1
InChIKey: WSANFVMOMGTHSN-LBHSHRESSA-N
Reference
Alkaloids of Tabernaemontana crassa. Crassanine, a new oxindole alkaloid
PubChem CID: 125115474
LOTUS: LTS0062413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana crassa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 414.5020000000002
TPSA？: 80.59000000000002
MolLogP？: 3.226700000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|