Polymastiamide B; 4'-Demethoxy, Δ24-isomer
AlkaPlorer ID: AK310831
Synonym: Polymastiamide F
IUPAC Name: 2-[[6-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylhept-2-enoyl]amino]-2-phenylacetic acid
Structure
SMILES: CC(CCC(C)C1CCC2=C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC21C)=C(C)C(=O)NC(C(=O)O)C1=CC=CC=C1
InChI: InChI=1S/C36H51NO7S/c1-22(24(3)33(38)37-32(34(39)40)25-9-7-6-8-10-25)11-12-23(2)29-15-16-30-28-14-13-26-21-27(44-45(41,42)43)17-19-35(26,4)31(28)18-20-36(29,30)5/h6-10,23,26-27,29,31-32H,11-21H2,1-5H3,(H,37,38)(H,39,40)(H,41,42,43)
InChIKey: IYTIEDZIVYYUOX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polymastia boletiformis | Polymastia | Polymastiidae | Polymastiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 641.8710000000004
TPSA？: 130.0
MolLogP？: 7.592300000000009
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|