(2S)-1-{[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-octahydro-3H-naphtho[1,2-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
AlkaPlorer ID: AK209768
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12
InChI: InChI=1S/C20H29NO5/c1-11-5-6-15(22)20(2)8-7-12-13(19(25)26-17(12)16(11)20)10-21-9-3-4-14(21)18(23)24/h12-17,22H,1,3-10H2,2H3,(H,23,24)/t12-,13-,14-,15+,16+,17-,20-/m0/s1
InChIKey: KTROAXMUYHQRSZ-GZFXCQGHSA-N
Reference
Saussureamines A, B, C, D, and E, new anti-ulcer principles from Chinese Saussureae Radix.
PubChem CID: 10406411
LOTUS: LTS0246208
SuperNatural Ⅲ: SN0195150-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saussurea costus | Saussurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4540000000001
TPSA？: 87.07000000000001
MolLogP？: 1.8204
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|