Arthriniumnin A
AlkaPlorer ID: AK111697
Synonym: None
IUPAC Name: (1R,5E,8S,10E,12S,15S,16S)-17-benzyl-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,13-triene-3,7,19-trione
Structure
SMILES: CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)/C(C)=C/CC(=O)O[C@]23C(=O)NC(CC2=CC=CC=C2)[C@@H]3[C@@H]1C
InChI: InChI=1S/C28H33NO4/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)33-24(30)14-13-18(2)26(17)31/h5-8,10-13,15,17,20,22-23,25H,9,14,16H2,1-4H3,(H,29,32)/b12-8+,18-13+/t17-,20+,22-,23?,25-,28+/m0/s1
InChIKey: WVTWBOYGCFLJLV-WRFDESLMSA-N
Reference
Cytotoxic Cytochalasins from Marine-Derived Fungus Arthrinium arundinis
PubChem CID: 156583075
{NPAtlas: NPA032460
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arthrinium | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 447.57500000000016
TPSA？: 72.47
MolLogP？: 4.339400000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|