Aurasperone c
-
Formula: C31H28O12
-
Molecular weight: 592.50
-
Smiles: CC1(CC(=O)C2=C(C3=C(C(=C(C=C3C=C2O1)O)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O)O
-
Type: Bis-naphthopyrone
Aurasperone c
Names
-
Mycotoxin name: Aurasperone c
-
First synonym: Aurasperone c
-
Synonyms: Aurasperone C,UNII-R0NL28355M,41689-66-1,R0NL28355M,2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione,DTXSID80961903,CHEBI:133815,7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one,Q27287615,2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI,2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-10-{2,5,8-TRIHYDROXY-6-METHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-7-YL}-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE
Identifiers / External links
-
CAS: 41689-66-1
-
PubChem CID: 179521
-
ChemSpiderID: 156260
-
US FDA (UNII): UNII-R0NL28355M
-
Wikidata (wiki): Q27287615
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:133815
-
CompTox Chemicals Dashboard (DTXSID): DTXSID80961903
Structure
-
Smiles: CC1(CC(=O)C2=C(C3=C(C(=C(C=C3C=C2O1)O)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O)O
-
Isomeric smiles: CC1(CC(=O)C2=C(C3=C(C(=C(C=C3C=C2O1)O)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O)O
-
Inchi: InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3
-
Inchikey: BAIJEJFONPISHA-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C31H28O12
-
Molecular weight: 592.50
-
Monoisotopic mass: 592.15807632
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 92 Aspergillus awamori 176 Aspergillus niger