Phelligridin D
-
Formula: C20H12O8
-
Molecular weight: 380.30
-
Smiles: C1=CC(=C(C=C1C=CC2=CC3=C(C4=CC(=C(C=C4C(=O)O3)O)O)C(=O)O2)O)O
-
Type: Pyranobenzopyrandione
Phelligridin D
Names
-
Mycotoxin name: Phelligridin D
-
First synonym: None
-
Synonyms: phelligridin D,3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione,3-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-8,9-dihydroxypyrano(4,3-c)isochromene-1,6-dione,CHEMBL218423,SCHEMBL17394787,CHEBI:226548,BDBM50498536,1H,6H-pyrano(4,3-c)(2)benzopyran-1,6-dione, 3-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-8,9-dihydroxy-,3-((E)-2-(3,4-dihydroxyphenyl)vinyl)-8,9-dihydroxy-1H,6H-pyrano(4,3-c)isochromene-1,6-dione
Identifiers / External links
-
PubChem CID: 10339712
-
ChEMBL: CHEMBL218423,CHEMBL17394787
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:226548
-
SCHEMBL: SCHEMBL17394787
Structure
-
Smiles: C1=CC(=C(C=C1C=CC2=CC3=C(C4=CC(=C(C=C4C(=O)O3)O)O)C(=O)O2)O)O
-
Isomeric smiles: C1=CC(=C(C=C1/C=C/C2=CC3=C(C4=CC(=C(C=C4C(=O)O3)O)O)C(=O)O2)O)O
-
Inchi: InChI=1S/C20H12O8/c21-13-4-2-9(5-14(13)22)1-3-10-6-17-18(20(26)27-10)11-7-15(23)16(24)8-12(11)19(25)28-17/h1-8,21-24H/b3-1+
-
Inchikey: KKEIHFGUYDHUBS-HNQUOIGGSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C20H12O8
-
Molecular weight: 380.30
-
Monoisotopic mass: 380.05321734
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