Chaetomugilin q
-
Formula: C22H29ClO6
-
Molecular weight: 424.90
-
Smiles: CC(C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C(C)C(C)O)(C)O)Cl)C(C)O
Chaetomugilin q
Names
-
Mycotoxin name: Chaetomugilin q
-
First synonym: Chaetomugilin q
-
Synonyms: Chaetomugilin Q,CHEMBL1797230
Identifiers / External links
-
CAS: 1319729-85-5
-
PubChem CID: 53358199
-
ChemSpiderID: 26607341
-
ChEMBL: CHEMBL1797230
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:212504
Structure
-
Smiles: CC(C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C(C)C(C)O)(C)O)Cl)C(C)O
-
Isomeric smiles: C[C@H](/C=C/C1=CC2=C(C(=O)[C@@]([C@H](C2=CO1)CC(=O)[C@@H](C)[C@H](C)O)(C)O)Cl)[C@@H](C)O
-
Inchi: InChI=1S/C22H29ClO6/c1-11(13(3)24)6-7-15-8-16-17(10-29-15)18(9-19(26)12(2)14(4)25)22(5,28)21(27)20(16)23/h6-8,10-14,18,24-25,28H,9H2,1-5H3/b7-6+/t11-,12+,13-,14+,18+,22+/m1/s1
-
Inchikey: VWKWLVNURGSWPO-WGGDPNRLSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C22H29ClO6
-
Molecular weight: 424.90
-
Monoisotopic mass: 424.1652663
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