None
AlkaPlorer ID: AK323882
Synonym: None
IUPAC Name: (1S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-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(CO)C1=O
InChI: InChI=1S/C28H35NO6/c1-16-12-13-22(31)34-28-20(11-7-10-19(15-30)24(16)32)25-27(3,35-25)17(2)23(28)21(29-26(28)33)14-18-8-5-4-6-9-18/h4-9,11,16-17,19-21,23,25,30H,10,12-15H2,1-3H3,(H,29,33)/b11-7+/t16?,17-,19?,20-,21-,23-,25-,27+,28+/m0/s1
InChIKey: GLCQILWZXNNVNR-ZNLTXUMRSA-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？: 3.443200000000003
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 |
| None | NON-PROTEIN TARGET | IC100 | 3.91 | ug ml-1 | 10.1021/np0002942 |