harziphilone
-
Formula: C15H18O4
-
Molecular weight: 262.30
-
Smiles: CC=CC=CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)O
harziphilone
Names
-
Mycotoxin name: harziphilone
-
First synonym: Harziphilone
-
Synonyms: Harziphilone,183239-75-0,(6R,7R)-6,7-dihydroxy-7-methyl-3-[(1E,3E)-penta-1,3-dienyl]-5,6-dihydro-1H-isochromen-8-one,rel-(6R,7R)-6,7-dihydroxy-7-methyl-3-[(1E,3E)-penta-1,3-dien-1-yl]-1,5,6,7-tetrahydro-8H-isochromen-8-one,(+)-Harziphilone,SCHEMBL20199899,CHEBI:66006,Q27134510
Identifiers / External links
-
CAS: 183239-75-0
-
PubChem CID: 6451027
-
ChemSpiderID: 4953520
-
ChEMBL: CHEMBL20199899
-
Wikidata (wiki): Q27134510
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:66006
-
CompTox Chemicals Dashboard (DTXSID): DTXSID801111535
-
SCHEMBL: SCHEMBL20199899
Structure
-
Smiles: CC=CC=CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)O
-
Isomeric smiles: C/C=C/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)O)(C)O
-
Inchi: InChI=1S/C15H18O4/c1-3-4-5-6-11-7-10-8-13(16)15(2,18)14(17)12(10)9-19-11/h3-7,13,16,18H,8-9H2,1-2H3/b4-3+,6-5+/t13-,15-/m1/s1
-
Inchikey: GFTDIFRKHSPLIX-VNLWOOSYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C15H18O4
-
Molecular weight: 262.30
-
Monoisotopic mass: 262.12050905
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 1152 Trichoderma harzianum WC47695