Polymastiamide A; 4'-Demethoxy
AlkaPlorer ID: AK310828
Synonym: Polymastiamide E
IUPAC Name: 2-[[3-methyl-2-methylidene-6-(4,10,13-trimethyl-3-sulfooxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoyl]amino]-2-phenylacetic acid
Structure
SMILES: C=C(C(=O)NC(C(=O)O)C1=CC=CC=C1)C(C)CCC(C)C1CCC2=C3CCC4C(C)C(OS(=O)(=O)O)CCC4(C)C3CCC21C
InChI: InChI=1S/C37H53NO7S/c1-22(24(3)34(39)38-33(35(40)41)26-10-8-7-9-11-26)12-13-23(2)28-16-17-30-27-14-15-29-25(4)32(45-46(42,43)44)19-21-37(29,6)31(27)18-20-36(28,30)5/h7-11,22-23,25,28-29,31-33H,3,12-21H2,1-2,4-6H3,(H,38,39)(H,40,41)(H,42,43,44)
InChIKey: MFZRLBIXSBCNCK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polymastia boletiformis | Polymastia | Polymastiidae | Polymastiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 655.898
TPSA？: 130.0
MolLogP？: 7.69420000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|