Fruticosamine
AlkaPlorer ID: AK002324
Synonym: None
IUPAC Name: methyl (1R,2S,3R,11S,12S,13R,15R)-12-hydroxy-14-oxo-10,17-diazaheptacyclo[9.9.2.01,13.02,17.03,11.03,15.04,9]docosa-4,6,8-triene-10-carboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]34[C@]15CC[C@]67[C@@H]3N(CCC6)C[C@@H]4C(=O)[C@H]7[C@@H]5O
InChI: InChI=1S/C22H24N2O4/c1-28-19(27)24-14-6-3-2-5-12(14)22-13-11-23-10-4-7-20(18(22)23)8-9-21(22,24)17(26)15(20)16(13)25/h2-3,5-6,13,15,17-18,26H,4,7-11H2,1H3/t13-,15+,17+,18+,20-,21-,22+/m1/s1
InChIKey: UOVOJZZNYJYZNZ-MODNEBOESA-N
Reference
Alkaloids of Kopsia species. Part II. The constitution of fruticosine and fruticosamine
PubChem CID: 23279773
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 380.44400000000013
TPSA？: 70.08
MolLogP？: 1.6974000000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | None | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |