None
AlkaPlorer ID: AK323489
Synonym: None
IUPAC Name: None
Structure
SMILES: CCN1C(=CC=CC=CC2=[N+](CCCCCC(O)=NCCCCCCNC3=C4N=CN([C@@H]5O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]5O)C4=NC=N3)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/C49H67N8O20P3S2/c1-6-55-36-22-20-32(81(68,69)70)27-34(36)48(2,3)39(55)17-11-9-12-18-40-49(4,5)35-28-33(82(71,72)73)21-23-37(35)56(40)26-16-10-13-19-41(58)50-24-14-7-8-15-25-51-45-42-46(53-30-52-45)57(31-54-42)47-44(60)43(59)38(75-47)29-74-79(64,65)77-80(66,67)76-78(61,62)63/h9,11-12,17-18,20-23,27-28,30-31,38,43-44,47,59-60H,6-8,10,13-16,19,24-26,29H2,1-5H3,(H7-,50,51,52,53,58,61,62,63,64,65,66,67,68,69,70,71,72,73)/t38-,43-,44-,47-/m1/s1
InChIKey: GSSQWUUTFYIEKY-QAUNFPMPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypoxylon rickii | Hypoxylon | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1245.167
TPSA？: 415.55
MolLogP？: 6.319200000000008
Number of H-Donors: 9
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | EC50 | 484.0 | nM | 10.1016/j.bmc.2017.10.003 |
| None | Unchecked | Kd | 30600.0 | nM | 10.1016/j.bmc.2017.10.003 |