Polymastiamide B; Δ24-Isomer
AlkaPlorer ID: AK310832
Synonym: Polymastiamide C
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-(4-methoxyphenyl)acetic acid
Structure
SMILES: COC1=CC=C(C(NC(=O)C(C)=C(C)CCC(C)C2CCC3=C4CCC5CC(OS(=O)(=O)O)CCC5(C)C4CCC32C)C(=O)O)C=C1
InChI: InChI=1S/C37H53NO8S/c1-22(24(3)34(39)38-33(35(40)41)25-9-12-27(45-6)13-10-25)7-8-23(2)30-15-16-31-29-14-11-26-21-28(46-47(42,43)44)17-19-36(26,4)32(29)18-20-37(30,31)5/h9-10,12-13,23,26,28,30,32-33H,7-8,11,14-21H2,1-6H3,(H,38,39)(H,40,41)(H,42,43,44)
InChIKey: DTBMZVGTMLDRKH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polymastia boletiformis | Polymastia | Polymastiidae | Polymastiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 671.8970000000002
TPSA？: 139.23
MolLogP？: 7.600900000000009
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|