Arisugacin c
-
Formula: C27H32O6
-
Molecular weight: 452.50
-
Smiles: CC1(C(=O)CCC2(C1(CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)C)C
Arisugacin c
Names
-
Mycotoxin name: Arisugacin c
-
First synonym: Arisugacin c
-
Synonyms: Arisugacin C,CHEMBL3632852,(4aS,6aR,12aR,12bR)-4a-hydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-1,4a,5,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,11(4H)-dione,CHEBI:65437,BDBM50130210,Q27133882
Identifiers / External links
-
CAS: 261950-90-7
-
PubChem CID: 10503812
-
ChemSpiderID: 8679213
-
ChEMBL: CHEMBL3632852
-
Wikidata (wiki): Q27133882
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:65437
Structure
-
Smiles: CC1(C(=O)CCC2(C1(CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)C)C
-
Isomeric smiles: C[C@]12CCC(=O)C([C@@]1(CC[C@@]3([C@@H]2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)(C)C
-
Inchi: InChI=1S/C27H32O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1
-
Inchikey: XKDGQMPLQPRTCS-HHPVDLARSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C27H32O6
-
Molecular weight: 452.50
-
Monoisotopic mass: 452.21988874
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 950 Penicillium sp. FO-4259-11