Radarin C
-
Formula: C28H39NO
-
Molecular weight: 405.60
-
Smiles: CC1CCC2(C3CCC(=O)C(C3(CCC2C1(C)CC4=CNC5=CC=CC=C54)C)C)C
-
Type: Indole diterpene
Radarin C
Names
-
Mycotoxin name: Radarin C
-
First synonym: None
-
Synonyms: Radarin C,SCHEMBL9596792,CHEBI:212984,(1R,4aS,4bR,7R,8S,8aR,10aS)-8-(1H-indol-3-ylmethyl)-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
Identifiers / External links
-
PubChem CID: 21610067
-
ChEMBL: CHEMBL9596792
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:212984
-
SCHEMBL: SCHEMBL9596792
Structure
-
Smiles: CC1CCC2(C3CCC(=O)C(C3(CCC2C1(C)CC4=CNC5=CC=CC=C54)C)C)C
-
Isomeric smiles: C[C@@H]1CC[C@]2([C@@H]3CCC(=O)[C@@H]([C@]3(CC[C@@H]2[C@@]1(C)CC4=CNC5=CC=CC=C54)C)C)C
-
Inchi: InChI=1S/C28H39NO/c1-18-12-14-27(4)24-11-10-23(30)19(2)26(24,3)15-13-25(27)28(18,5)16-20-17-29-22-9-7-6-8-21(20)22/h6-9,17-19,24-25,29H,10-16H2,1-5H3/t18-,19+,24-,25+,26-,27+,28+/m1/s1
-
Inchikey: ZEETTZHRLKVSNU-PNZHDMLZSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C28H39NO
-
Molecular weight: 405.60
-
Monoisotopic mass: 405.303164868
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 257 Aspergillus sulphureus 258 Aspergillus sulphureus NRRL 4077