Monascopyridine a
-
Formula: C21H25NO4
-
Molecular weight: 355.40
-
Smiles: CCCCCC(=O)C1C2CC3=CC(=NC=C3C(=O)C2(OC1=O)C)C=CC
Monascopyridine a
Names
-
Mycotoxin name: Monascopyridine a
-
First synonym: Monascopyridine a
-
Synonyms: Monascopyridine A
Identifiers / External links
-
CAS: 604786-54-1
-
PubChem CID: 101751764
-
ChemSpiderID: 78441414
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:224543
Structure
-
Smiles: CCCCCC(=O)C1C2CC3=CC(=NC=C3C(=O)C2(OC1=O)C)C=CC
-
Isomeric smiles: CCCCCC(=O)[C@H]1[C@@H]2CC3=CC(=NC=C3C(=O)[C@]2(OC1=O)C)/C=C/C
-
Inchi: InChI=1S/C21H25NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10,12,16,18H,4,6-7,9,11H2,1-3H3/b8-5+/t16-,18+,21-/m0/s1
-
Inchikey: XZLAVLLIHLWTLQ-SFHCNVCLSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C21H25NO4
-
Molecular weight: 355.40
-
Monoisotopic mass: 355.17835828
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 640 Monascus purpureus DSM1379