Scoparasin C
AlkaPlorer ID: AK060025
Synonym: None
IUPAC Name: (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-7-hydroxy-19-[(4-hydroxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione
Structure
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=C(O)C=C4)N=C(O)[C@]32OC(=O)O/C=C/[C@@](C)(O)C1=O
InChI: InChI=1S/C28H33NO8/c1-15-6-5-7-19-23-27(4,36-23)16(2)21-20(14-17-8-10-18(30)11-9-17)29-24(32)28(19,21)37-25(33)35-13-12-26(3,34)22(15)31/h5,7-13,15-16,19-21,23,30,34H,6,14H2,1-4H3,(H,29,32)/b7-5+,13-12+/t15-,16-,19-,20-,21-,23-,26+,27+,28+/m0/s1
InChIKey: CNZLGXYXQHQUGI-MFXLXQLLSA-N
Reference
Cytotoxic cytochalasins from the endophytic fungus Eutypella scoparia PSU-H267
PubChem CID: 139584279
LOTUS: LTS0018479
{NPAtlas: NPA004277
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scoparia | Crambidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 511.57100000000025
TPSA？: 138.18
MolLogP？: 3.6348000000000025
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 1190.0 | nM | 10.1016/j.ejmech.2018.07.015 |