None
AlkaPlorer ID: AK323491
Synonym: None
IUPAC Name: None
Structure
SMILES: CCN1C(=CC=CC=CC2=[N+](CCCCCC(O)=NCCCCCCN=C3NC4=C(N)N=CN=C4N3[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C3=CC=C(S(=O)(=O)[O-])C=C3C2(C)C)C(C)(C)C2=CC(S(=O)(=O)O)=CC=C21
InChI: InChI=1S/C49H68N9O20P3S2/c1-6-56-35-22-20-31(82(69,70)71)27-33(35)48(2,3)38(56)17-11-9-12-18-39-49(4,5)34-28-32(83(72,73)74)21-23-36(34)57(39)26-16-10-13-19-40(59)51-24-14-7-8-15-25-52-47-55-41-44(50)53-30-54-45(41)58(47)46-43(61)42(60)37(76-46)29-75-80(65,66)78-81(67,68)77-79(62,63)64/h9,11-12,17-18,20-23,27-28,30,37,42-43,46,60-61H,6-8,10,13-16,19,24-26,29H2,1-5H3,(H9-,50,51,52,53,54,55,59,62,63,64,65,66,67,68,69,70,71,72,73,74)/t37-,42-,43-,46-/m1/s1
InChIKey: OVZDEIWNVVEXJW-NQIMOJJLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypoxylon rickii | Hypoxylon | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1260.1820000000002
TPSA？: 444.8
MolLogP？: 5.323300000000006
Number of H-Donors: 10
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Kd | 2300.0 | nM | 10.1016/j.bmc.2017.10.003 |