L-697,318
AlkaPlorer ID: AK049263
Synonym: None
IUPAC Name: [(1S,2R,3Z,5S,7S,9Z,11S,14S,15R,16S)-16-benzyl-13-(hydroxymethyl)-5,7,14-trimethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C\[C@@H](C)C[C@@H](C)C/C=C\[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]321
InChI: InChI=1S/C30H39NO4/c1-19-9-8-12-25-17-24(18-32)21(3)28-26(16-23-10-6-5-7-11-23)31-29(34)30(25,28)27(35-22(4)33)14-13-20(2)15-19/h5-8,10-14,17,19-21,25-28,32H,9,15-16,18H2,1-4H3,(H,31,34)/b12-8-,14-13-/t19-,20+,21+,25-,26-,27+,28-,30+/m0/s1
InChIKey: DCDYEIICKCUNNP-ANLZFSRJSA-N
Reference
L-696,474, a novel cytochalasin as an inhibitor of HIV-1 protease. II. Isolation and structure.
PubChem CID: 101629194
LOTUS: LTS0187478
{NPAtlas: NPA013506
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypoxylon fragiforme | Hypoxylon | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.6450000000002
TPSA？: 79.12
MolLogP？: 5.465100000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|