Yomogin
PubChem CID: 174865
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| Compound Synonyms | Yomogin, 10067-18-2, (3aR,8aS,9aR)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione, 2-Naphthaleneacetic acid, 1,2beta,3,4,4a,7-hexahydro-3alpha-hydroxy-4aalpha,8-dimethyl-alpha-methylene-7-oxo-, gamma-lactone, DTXSID50143436, 1,2beta,3,4,4a,7-hexahydro-3alpha-hydroxy-4aalpha,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid gamma-lactone, Naphtho(2,3-b)furan-2,6(3H,4H)-dione, 3a,8a,9,9a-tetrahydro-5,8a-dimethyl-3-methylene-, (3aR-(3aalpha,8abeta,9aalpha))-, (3aR,8aS,9aR)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo(f)(1)benzofuran-2,6-dione, CHEMBL4547184, DTXCID6065927, AKOS040754536 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3aR,8aS,9aR)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONPJVBQNWRHOKG-WDBKCZKBSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Yomogin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7027979999999996 |
| Inchi | InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10,13H,1,6-7H2,2-3H3/t10-,13-,15-/m1/s1 |
| Smiles | CC1=C2C[C@H]3[C@@H](C[C@]2(C=CC1=O)C)OC(=O)C3=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Myriantha (Plant) Rel Props:Source_db:cmaup_ingredients