Polymastiamide A; 7α-Methoxy
AlkaPlorer ID: AK310829
Synonym: 7α-Methoxypolymastiamide A
IUPAC Name: 2-(4-methoxyphenyl)-2-[[6-(7-methoxy-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)-3-methyl-2-methylideneheptanoyl]amino]acetic acid
Structure
SMILES: C=C(C(=O)NC(C(=O)O)C1=CC=C(OC)C=C1)C(C)CCC(C)C1CCC2=C3C(OC)CC4C(C)C(OS(=O)(=O)O)CCC4(C)C3CCC21C
InChI: InChI=1S/C39H57NO9S/c1-22(24(3)36(41)40-35(37(42)43)26-11-13-27(47-7)14-12-26)9-10-23(2)28-15-16-29-34-30(17-19-38(28,29)5)39(6)20-18-32(49-50(44,45)46)25(4)31(39)21-33(34)48-8/h11-14,22-23,25,28,30-33,35H,3,9-10,15-21H2,1-2,4-8H3,(H,40,41)(H,42,43)(H,44,45,46)
InChIKey: BACKJZHOLGPNMX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polymastia boletiformis | Polymastia | Polymastiidae | Polymastiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 715.95
TPSA？: 148.46
MolLogP？: 7.327700000000009
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|