dysinosin B
AlkaPlorer ID: AK322593
Synonym: None
IUPAC Name: None
Structure
SMILES: CO[C@H](COS(=O)(=O)O)C(O)=N[C@H](C(=O)N1[C@H](C(=O)[N-]CCC2=CCN(C(N)=[NH2+])C2)C[C@@H]2C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21)C(C)C
InChI: InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-,30+/m1/s1
InChIKey: RPYXLWOZBBICPU-CVAXQKIFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellodysidea chlorea | Lamellodysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 780.8510000000006
TPSA？: 331.36000000000007
MolLogP？: -4.666399999999998
Number of H-Donors: 9
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Coagulation factor VII | Ki | 90.0 | nM | 10.1021/np049968p |
| Homo sapiens | Thrombin | Ki | 170.0 | nM | 10.1021/np049968p |