Trichodermamide a
-
Formula: C20H20N2O9
-
Molecular weight: 432.40
-
Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NOC4C(C=CC(C4(C3)O)O)O)OC
-
Type: Dipeptide
Trichodermamide a
Names
-
Mycotoxin name: Trichodermamide a
-
First synonym: Trichodermamide a
-
Synonyms: Trichodermamide A,Q63396565,CHEMBL477717,DTXSID40894001,CHEBI:188558,(4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide,508218-11-9
Identifiers / External links
-
CAS: 508218-11-9
-
PubChem CID: 10982906
-
DSS TOX CID: DTXCID101324044
-
ChEMBL: CHEMBL477717
-
Wikidata (wiki): Q63396565
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:188558
-
CompTox Chemicals Dashboard (DTXSID): DTXSID40894001
Structure
-
Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NOC4C(C=CC(C4(C3)O)O)O)OC
-
Isomeric smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NO[C@H]4[C@@H](C=C[C@H]([C@]4(C3)O)O)O)OC
-
Inchi: InChI=1S/C20H20N2O9/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)14(24)6-4-12(23)17(20)31-22-11/h3-7,12,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20+/m1/s1
-
Inchikey: ZQOKLOPATOTAEE-OVCSSCHWSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C20H20N2O9
-
Molecular weight: 432.40
-
Monoisotopic mass: 432.11688022
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