Cespitulactam G
AlkaPlorer ID: AK056421
Synonym: None
IUPAC Name: (1S,3E,5S,10R)-15-ethyl-1,5-dihydroxy-3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one
Structure
SMILES: C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)N(CC)C3=O
InChI: InChI=1S/C22H33NO3/c1-6-23-20(25)18-10-9-16-8-7-14(2)11-17(24)12-15(3)13-22(23,26)19(18)21(16,4)5/h12,16-17,24,26H,2,6-11,13H2,1,3-5H3/b15-12+/t16-,17+,22+/m1/s1
InChIKey: QVSCVFBZASTJAJ-ZFZHFZBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 359.5100000000001
TPSA？: 60.77
MolLogP？: 3.707300000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | Activity | nan | None | 10.1021/np078011u |
| Mus musculus | L1210 | Activity | nan | None | 10.1021/np078011u |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np078011u |
| Trichophyton benhamiae | Trichophyton benhamiae | MIC | 2.08 | ug.mL-1 | 10.1021/np078011u |