Saussureamine A
AlkaPlorer ID: AK093786
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aS,6E,10E,11aS)-6,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@H]3C(=O)O)[C@@H]2CC/C(C)=C/CC1
InChI: InChI=1S/C20H29NO4/c1-13-5-3-6-14(2)11-18-15(9-8-13)16(20(24)25-18)12-21-10-4-7-17(21)19(22)23/h5,11,15-18H,3-4,6-10,12H2,1-2H3,(H,22,23)/b13-5+,14-11+/t15-,16-,17-,18+/m0/s1
InChIKey: PTMPZOZMKYWVLH-VJLLHIAYSA-N
Reference
Saussureamines A, B, C, D, and E, new anti-ulcer principles from Chinese Saussureae Radix.
PubChem CID: 10427798
LOTUS: LTS0256764
NPASS: NPC271562
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saussurea costus | Saussurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 347.4550000000001
TPSA？: 66.84
MolLogP？: 3.159800000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Inhibition | 57.0 | % | 10.1039/C2MD20172K |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 59.8 | % | 10.1039/C2MD20172K |
| None | NON-PROTEIN TARGET | IC50 | 2.8 | ug.mL-1 | 10.1039/C2MD20172K |