Dihydrospumigin L
AlkaPlorer ID: AK109446
Synonym: None
IUPAC Name: (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
Structure
SMILES: CC1C[C@@H](C(O)=N[C@H](CO)CCCNC(=N)N)N(C(=O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)C(O)CCC2=CC=C(O)C=C2)C1
InChI: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
InChIKey: OYLLIRIQZZWJCJ-SNPABIAHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Sphaerospermopsis torques-reginae | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 612.7280000000003
TPSA？: 228.31
MolLogP？: 1.7767700000000028
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Thrombin | Inhibition | None | % | 10.1021/acs.jnatprod.7b00370 |