Dethiosecoemestrin
AlkaPlorer ID: AK033578
Synonym: None
IUPAC Name: [(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)O[C@H]2C=COC=C3C=C4C(=O)N(C)C(=O)C(=O)N4[C@@H]32)C=C1OC1=CC(C=O)=CC=C1O
InChI: InChI=1S/C27H20N2O10/c1-28-24(32)17-10-16-13-37-8-7-20(23(16)29(17)26(34)25(28)33)39-27(35)15-4-6-19(36-2)22(11-15)38-21-9-14(12-30)3-5-18(21)31/h3-13,20,23,31H,1-2H3/t20-,23-/m0/s1
InChIKey: APGIPIWYVRPJKL-REWPJTCUSA-N
Reference
Studies of Fungal Products. XII. Structure of Aurantioemestrin from Emericella striata
PubChem CID: 128678
CAS: 104799-51-1
LOTUS: LTS0173141
SuperNatural Ⅲ: SN0011673-01
{NPAtlas: NPA015716
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus striatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 532.4610000000004
TPSA？: 148.98
MolLogP？: 2.0521
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|