Pochonin A
-
Formula: C18H19ClO6
-
Molecular weight: 366.80
-
Smiles: CC1CC2C(O2)CCC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
-
Type: Resorcyl lactone
Pochonin A
Names
-
Mycotoxin name: Pochonin A
-
First synonym: None
-
Synonyms: Pochonin A,(4S,6R,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione,(4S,6R,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo(13.4.0.06,8)nonadeca-1(15),11,16,18-tetraene-2,13-dione,SCHEMBL869073,CHEMBL512064,WUSYBKJSCTYKMV-UUEMPHROSA-N,BDBM50378021,544712-80-3,2H-Oxireno[e][2]benzoxacyclotetradecin-6,12(3H,7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aR,14S,15aR)-
Identifiers / External links
-
CAS: 544712-80-3
-
PubChem CID: 6478909
-
ChEMBL: CHEMBL512064,CHEMBL869073
-
SCHEMBL: SCHEMBL869073
Structure
-
Smiles: CC1CC2C(O2)CCC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
-
Isomeric smiles: C[C@H]1C[C@@H]2[C@H](O2)CC/C=C/C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
-
Inchi: InChI=1S/C18H19ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b4-2+/t9-,14+,15+/m0/s1
-
Inchikey: WUSYBKJSCTYKMV-UUEMPHROSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C18H19ClO6
-
Molecular weight: 366.80
-
Monoisotopic mass: 366.087016
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