Saussureamine C
AlkaPlorer ID: AK058047
Synonym: None
IUPAC Name: (2S)-2-[[(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]methylamino]-4-amino-4-oxobutanoic acid
Structure
SMILES: C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN[C@@H](CC(N)=O)C(=O)O)[C@@H]12
InChI: InChI=1S/C19H26N2O5/c1-9-3-6-12-13(8-21-14(18(23)24)7-15(20)22)19(25)26-17(12)16-10(2)4-5-11(9)16/h11-14,16-17,21H,1-8H2,(H2,20,22)(H,23,24)/t11-,12-,13-,14-,16-,17-/m0/s1
InChIKey: MZFVEYVQALPRDY-HHHJXDIYSA-N
Reference
Saussureamines A, B, C, D, and E, new anti-ulcer principles from Chinese Saussureae Radix.
PubChem CID: 9998735
LOTUS: LTS0198920
SuperNatural Ⅲ: SN0239317-01
NPASS: NPC15413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saussurea costus | Saussurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.42600000000016
TPSA？: 118.71999999999998
MolLogP？: 0.9948000000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Inhibition | 4.7 | % | 10.1039/C2MD20172K |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 68.1 | % | 10.1039/C2MD20172K |
| None | NON-PROTEIN TARGET | IC50 | 16.0 | ug.mL-1 | 10.1039/C2MD20172K |