Saprionide
PubChem CID: 10890934
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| Compound Synonyms | Saprionide, 6-hydroxy-12-methyl-7-propan-2-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione, 6-hydroxy-12-methyl-7-propan-2-yl-3-oxatricyclo(7.3.1.05,13)trideca-1(12),5(13),6,8,10-pentaene-2,4-dione, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxamide, N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboximidate, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboximidate, CHEMBL454587, 453518-31-5 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-12-methyl-7-propan-2-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPFRPFNPGBIXNT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Saprionide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4846608 |
| Inchi | InChI=1S/C16H14O4/c1-7(2)10-6-9-5-4-8(3)11-12(9)13(14(10)17)16(19)20-15(11)18/h4-7,17H,1-3H3 |
| Smiles | CC1=C2C3=C(C(=C(C=C3C=C1)C(C)C)O)C(=O)OC2=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Prionitis (Plant) Rel Props:Source_db:cmaup_ingredients