dysinosin D
AlkaPlorer ID: AK322595
Synonym: None
IUPAC Name: (2S,3aR,5S,6S,7aS)-N-[2-[1-(diaminomethylidene)-2,5-dihydropyrrol-1-ium-3-yl]ethyl]-5,6-dihydroxy-1-[(2S)-2-[[(2R)-3-hydroxy-2-methoxypropanoyl]amino]-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Structure
SMILES: CO[C@H](CO)C(=O)N[C@H](C(=O)N1[C@H](C(=O)NCCC2=CC[N+](=C(N)N)C2)C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]21)C(C)C
InChI: InChI=1S/C25H42N6O7/c1-13(2)21(29-23(36)20(12-32)38-3)24(37)31-16-10-19(34)18(33)9-15(16)8-17(31)22(35)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-34H,4,6-12H2,1-3H3,(H5,26,27,28,29,35,36)/p+1/t15-,16+,17+,18+,19+,20-,21+/m1/s1
InChIKey: YUWYJLZMNVWJKP-XYIAWKELSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellodysidea chlorea | Lamellodysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 539.6540000000003
TPSA？: 203.48
MolLogP？: -3.031999999999992
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Coagulation factor VII | Ki | 1320.0 | nM | 10.1021/np049968p |
| Homo sapiens | Thrombin | Ki | 5100.0 | nM | 10.1021/np049968p |