None
AlkaPlorer ID: AK323881
Synonym: None
IUPAC Name: (1S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-8-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione
Structure
SMILES: CC1CCC(=O)O[C@@]23C(O)=N[C@@H](CC4=CC=CC=C4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/CC(C)(O)C1=O
InChI: InChI=1S/C28H35NO6/c1-16-12-13-21(30)34-28-19(11-8-14-26(3,33)23(16)31)24-27(4,35-24)17(2)22(28)20(29-25(28)32)15-18-9-6-5-7-10-18/h5-11,16-17,19-20,22,24,33H,12-15H2,1-4H3,(H,29,32)/b11-8+/t16?,17-,19-,20-,22-,24-,26?,27+,28+/m0/s1
InChIKey: FMJRYCBPDIIEAZ-LVENTBGSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhinocladiella sp. | Rhinocladiella | Herpotrichiellaceae | Chaetothyriales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 481.5890000000003
TPSA？: 108.72
MolLogP？: 3.585700000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC100 | 15.6 | ug ml-1 | 10.1021/np0002942 |
| Homo sapiens | SW-620 | IC100 | 62.5 | ug ml-1 | 10.1021/np0002942 |
| None | NON-PROTEIN TARGET | IC100 | 15.6 | ug ml-1 | 10.1021/np0002942 |