18-Deoxycytochalasin H
AlkaPlorer ID: AK030336
Synonym: 'L 696474'
IUPAC Name: [(1R,2R,3E,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](OC(C)=O)/C=C/[C@@H](C)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,20+,24-,25-,26+,27-,28+,30+/m0/s1
InChIKey: JVHIPYJQMFNCEK-ZPSJVCBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis orientalis | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 477.64500000000027
TPSA？: 79.12
MolLogP？: 5.463500000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Jurkat | Activity | nan | None | 10.1016/j.bmc.2019.115145 |
| Homo sapiens | Ramos | Activity | nan | None | 10.1016/j.bmc.2019.115145 |
| Human immunodeficiency virus 1 | Protease | IC50 | 3000.0 | nM | 10.1021/np50095a013 |
| None | Bone marrow cell | Activity | nan | None | 10.1016/j.bmc.2019.115145 |
| None | Dendritic cell | FC | 2.0 | None | 10.1016/j.bmc.2019.115145 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2019.115145 |