Ruguloxanthone a
-
Formula: C25H26O6
-
Molecular weight: 422.50
-
Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C)(C)C=O)O
Ruguloxanthone a
Names
-
Mycotoxin name: Ruguloxanthone a
-
First synonym: Ruguloxanthone a
-
Synonyms: ruguloxanthone A,CHEMBL1081526
Identifiers / External links
-
CAS: 1174549-70-2
-
PubChem CID: 44255148
-
ChEMBL: CHEMBL1081526
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:204603
Structure
-
Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C)(C)C=O)O
-
Isomeric smiles: CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C)(C)C=O)O
-
Inchi: InChI=1S/C25H26O6/c1-12(2)15-10-30-23-13(3)8-17-19(20(23)21(15)28)22(29)18-16(27)7-6-14(24(18)31-17)9-25(4,5)11-26/h6-8,11,15,21,27-28H,1,9-10H2,2-5H3/t15-,21-/m1/s1
-
Inchikey: JDSJQMDLJSHVII-QVKFZJNVSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C25H26O6
-
Molecular weight: 422.50
-
Monoisotopic mass: 422.17293854
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 471 Emericella rugulosa