Penicilazaphilone a
-
Formula: C22H32O6
-
Molecular weight: 392.50
-
Smiles: CCC(C)C1C(OC(O1)(C)C)(C)C=CC2=CC3=CC(=O)C(C(C3CO2)O)(C)O
Penicilazaphilone a
Names
-
Mycotoxin name: Penicilazaphilone a
-
First synonym: Penicilazaphilone a
-
Synonyms: Penicilazaphilone A
Identifiers / External links
-
CAS: 1325172-08-4
-
PubChem CID: 46873698
-
ChemSpiderID: 28287871
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:200313
Structure
-
Smiles: CCC(C)C1C(OC(O1)(C)C)(C)C=CC2=CC3=CC(=O)C(C(C3CO2)O)(C)O
-
Isomeric smiles: CC[C@H](C)C1C(OC(O1)(C)C)(C)/C=C/C2=CC3=CC(=O)[C@]([C@@H]([C@H]3CO2)O)(C)O
-
Inchi: InChI=1S/C22H32O6/c1-7-13(2)19-21(5,28-20(3,4)27-19)9-8-15-10-14-11-17(23)22(6,25)18(24)16(14)12-26-15/h8-11,13,16,18-19,24-25H,7,12H2,1-6H3/b9-8+/t13-,16-,18+,19?,21?,22-/m0/s1
-
Inchikey: IWEMHAGFVAXHLO-BJFLWUPSSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C22H32O6
-
Molecular weight: 392.50
-
Monoisotopic mass: 392.21988874
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 915 Penicillium sclerotiorum PSU-A13