Hippolide B
AlkaPlorer ID: AK035769
Synonym: None
IUPAC Name: (3S)-3-[(2R,6S)-6-methoxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]pyrrolidine-2,5-dione
Structure
SMILES: CO[C@H]1O[C@@H]([C@@H]2CC(=O)NC2=O)CC=C1CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChI: InChI=1S/C26H39NO4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(31-26(21)30-5)22-17-24(28)27-25(22)29/h9,11,13,15,22-23,26H,6-8,10,12,14,16-17H2,1-5H3,(H,27,28,29)/b19-11+,20-13+/t22-,23+,26-/m0/s1
InChIKey: JCZZVHJOSFEULF-UTNVMCOPSA-N
Reference
Hippolides A–H, Acyclic Manoalide Derivatives from the Marine Sponge <i>Hippospongia lachne</i>
PubChem CID: 53262773
LOTUS: LTS0212313
NPASS: NPC121857
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hippospongia lachne | Hippospongia | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 429.6010000000003
TPSA？: 64.63
MolLogP？: 5.536300000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 35130.0 | nM | 10.1021/np200227s |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 39670.0 | nM | 10.1021/np200227s |