Saussureamine B
AlkaPlorer ID: AK091960
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12
InChI: InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16-,17-,18-/m0/s1
InChIKey: XXYMNUOJMDOHBS-QQCJEOGWSA-N
Reference
Saussureamines A, B, C, D, and E, new anti-ulcer principles from Chinese Saussureae Radix.
PubChem CID: 10360205
LOTUS: LTS0134703
SuperNatural Ⅲ: SN0443065-04
NPASS: NPC265094
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saussurea costus | Saussurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.43900000000014
TPSA？: 66.84
MolLogP？: 2.6256000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Inhibition | 19.0 | % | 10.1039/C2MD20172K |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 87.0 | % | 10.1039/C2MD20172K |
| None | NON-PROTEIN TARGET | IC50 | 2.8 | ug.mL-1 | 10.1039/C2MD20172K |