Chaetomugilin i
-
Formula: C22H27ClO5
-
Molecular weight: 406.90
-
Smiles: CC=C(C)C(=O)CC1C2=COC(=CC2=C(C(=O)C1(C)O)Cl)C=CC(C)C(C)O
Chaetomugilin i
Names
-
Mycotoxin name: Chaetomugilin i
-
First synonym: Chaetomugilin i
-
Synonyms: Chaetomugilin I,CHEMBL1797233
Identifiers / External links
-
CAS: 1187848-00-5
-
PubChem CID: 44250025
-
ChemSpiderID: 26607402
-
ChEMBL: CHEMBL1797233
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:199006
Structure
-
Smiles: CC=C(C)C(=O)CC1C2=COC(=CC2=C(C(=O)C1(C)O)Cl)C=CC(C)C(C)O
-
Isomeric smiles: C/C=C(\C)/C(=O)C[C@H]1C2=COC(=CC2=C(C(=O)[C@@]1(C)O)Cl)/C=C/[C@@H](C)[C@@H](C)O
-
Inchi: InChI=1S/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14-,18+,22+/m1/s1
-
Inchikey: BYFBAJVBSPNIFS-YJTDBNEFSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C22H27ClO5
-
Molecular weight: 406.90
-
Monoisotopic mass: 406.1547017
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 338 Chaetomium globosum OUPS-T106B-6