Acetylapoaranotin
AlkaPlorer ID: AK000190
Synonym: None
IUPAC Name: [(1R,4S,5S,12R,15S,16S)-5-acetyloxy-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,17,19-tetraen-16-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SS5)OC(=O)C
InChI: InChI=1S/C22H20N2O7S2/c1-11(25)30-15-5-3-4-13-8-21-19(27)24-18-14(10-29-7-6-16(18)31-12(2)26)9-22(24,33-32-21)20(28)23(21)17(13)15/h3-7,10,15-18H,8-9H2,1-2H3/t15-,16-,17-,18-,21+,22+/m0/s1
InChIKey: PVGDBWZIGOLCSB-NEEVBFIGSA-N
Reference
Bioactive Alkaloids from the Plant Endophytic FungusAspergillus terreus
PubChem CID: 9826799
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus terreus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 488.5430000000002
TPSA？: 102.45000000000002
MolLogP？: 1.7767999999999997
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|