Polymastiamide A
AlkaPlorer ID: AK310827
Synonym: None
IUPAC Name: 2-(4-methoxyphenyl)-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]acetic acid
Structure
SMILES: C=C(C(O)=NC(C(=O)O)C1=CC=C(OC)C=C1)C(C)CCC(C)C1CCC2=C3CCC4C(C)C(OS(=O)(=O)O)CCC4(C)C3CCC21C
InChI: InChI=1S/C38H55NO8S/c1-22(24(3)35(40)39-34(36(41)42)26-10-12-27(46-7)13-11-26)8-9-23(2)29-16-17-31-28-14-15-30-25(4)33(47-48(43,44)45)19-21-38(30,6)32(28)18-20-37(29,31)5/h10-13,22-23,25,29-30,32-34H,3,8-9,14-21H2,1-2,4-7H3,(H,39,40)(H,41,42)(H,43,44,45)
InChIKey: CTLYWHGEOLQVMU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polymastia boletiformis | Polymastia | Polymastiidae | Polymastiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 685.9240000000001
TPSA？: 142.72
MolLogP？: 8.543100000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|