None
AlkaPlorer ID: AK324874
Synonym: None
IUPAC Name: (3S,6S,12S,15S,18S,21S,24S)-15-benzyl-21-[(2R)-butan-2-yl]-18-(hydroxymethyl)-3-(1H-indol-2-ylmethyl)-12-propan-2-yl-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC3=CC=CC=C3N2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CO)N=C1O
InChI: InChI=1S/C44H58N8O8/c1-5-26(4)37-42(58)48-33(24-53)39(55)46-31(21-27-13-7-6-8-14-27)38(54)49-36(25(2)3)44(60)52-20-12-17-34(52)40(56)47-32(23-29-22-28-15-9-10-16-30(28)45-29)43(59)51-19-11-18-35(51)41(57)50-37/h6-10,13-16,22,25-26,31-37,45,53H,5,11-12,17-21,23-24H2,1-4H3,(H,46,55)(H,47,56)(H,48,58)(H,49,54)(H,50,57)/t26-,31+,32+,33+,34+,35+,36+,37+/m1/s1
InChIKey: MEICWPWYSOWFJY-KHZBLIFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prosuberites laughlini | Prosuberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 826.996
TPSA？: 239.58999999999995
MolLogP？: 5.268600000000005
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | Activity | nan | None | 10.1021/np9004135 |
| Homo sapiens | IGROV-1 | Activity | 82.6 | % | 10.1021/np9004135 |
| Homo sapiens | LOX IMVI | Activity | 89.0 | % | 10.1021/np9004135 |
| Homo sapiens | NCI-H522 | Activity | 72.2 | % | 10.1021/np9004135 |
| Homo sapiens | UO-31 | Activity | 73.6 | % | 10.1021/np9004135 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | nan | None | 10.1021/np9004135 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | Activity | nan | None | 10.1021/np9004135 |
| Influenza A virus | Influenza A virus | Activity | nan | None | 10.1021/np9004135 |
| Influenza B virus | Influenza B virus | Activity | nan | None | 10.1021/np9004135 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | nan | None | 10.1021/np9004135 |
| Plasmodium falciparum | Plasmodium falciparum | Activity | nan | None | 10.1021/np9004135 |
| Respiratory syncytial virus | Respiratory syncytial virus | Activity | nan | None | 10.1021/np9004135 |
| Rift Valley fever virus | Rift Valley fever virus | Activity | nan | None | 10.1021/np9004135 |
| West Nile virus | West Nile virus | Activity | nan | None | 10.1021/np9004135 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np9004135 |