Hippolide A
AlkaPlorer ID: AK066686
Synonym: None
IUPAC Name: (3S)-3-[(2R,6S)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]pyrrolidine-2,5-dione
Structure
SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CC[C@H]([C@@H]2CC(O)=NC2=O)O[C@@H]1O
InChI: InChI=1S/C25H37NO4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(30-25(20)29)21-16-23(27)26-24(21)28/h8,10,12,14,21-22,25,29H,5-7,9,11,13,15-16H2,1-4H3,(H,26,27,28)/b18-10+,19-12+/t21-,22+,25-/m0/s1
InChIKey: DHMXAXCAWHUFET-HVFQXGRFSA-N
Reference
Hippolides A–H, Acyclic Manoalide Derivatives from the Marine Sponge <i>Hippospongia lachne</i>
PubChem CID: 53262772
LOTUS: LTS0156797
NPASS: NPC167380
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hippospongia lachne | Hippospongia | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 415.5740000000001
TPSA？: 79.12
MolLogP？: 5.722500000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 52.2 | nM | 10.1021/np200227s |
| Homo sapiens | HCT-116 | IC50 | 9780.0 | nM | 10.1021/np200227s |
| Homo sapiens | HeLa | IC50 | 48.0 | nM | 10.1021/np200227s |
| Homo sapiens | Protein kinase C gamma | IC50 | 61970.0 | nM | 10.1021/np200227s |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 23810.0 | nM | 10.1021/np200227s |