None
AlkaPlorer ID: AK323880
Synonym: None
IUPAC Name: (1S,4E,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-7-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icosa-4,10-diene-3,20-dione
Structure
SMILES: CC1/C=C/C(=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)C1O
InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-14,16-18,20-21,23-25,31H,9,15H2,1-4H3,(H,29,32)/b12-8+,14-13+/t16?,17?,18-,20-,21-,23-,24?,25-,27+,28+/m0/s1
InChIKey: JDIDLBCBCVLVMU-BSEUOGIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhinocladiella sp. | Rhinocladiella | Herpotrichiellaceae | Chaetothyriales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 465.5900000000002
TPSA？: 91.65
MolLogP？: 4.038600000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC100 | 3.91 | ug ml-1 | 10.1021/np0002942 |
| Homo sapiens | SW-620 | IC100 | 15.6 | ug ml-1 | 10.1021/np0002942 |
| None | NON-PROTEIN TARGET | IC100 | 3.91 | ug ml-1 | 10.1021/np0002942 |