Chaetopyranin
-
Formula: C19H24O4
-
Molecular weight: 316.40
-
Smiles: CC(C=CC1CCC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C)O
-
Type: Benzopyran
Chaetopyranin
Names
-
Mycotoxin name: Chaetopyranin
-
First synonym: Chaetopyranin
-
Synonyms: CHAETOPYRANIN,CHEBI:68788,CHEMBL462796,Q27137179,6-hydroxy-2-[(1E)-3-hydroxybut-1-en-1-yl]-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-chromene-5-carbaldehyde
Identifiers / External links
-
CAS: 916654-36-9
-
PubChem CID: 11994820
-
ChemSpiderID: 10167287
-
ChEMBL: CHEMBL462796
-
Wikidata (wiki): Q27137179
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:68788
Structure
-
Smiles: CC(C=CC1CCC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C)O
-
Isomeric smiles: CC(/C=C/C1CCC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C)O
-
Inchi: InChI=1S/C19H24O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,13,15,21-22H,6,8-9H2,1-3H3/b7-5+
-
Inchikey: XWZLFKLXNARMNW-FNORWQNLSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C19H24O4
-
Molecular weight: 316.40
-
Monoisotopic mass: 316.16745924
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 334 Chaetomium globosum