Narchinol C
PubChem CID: 56835096
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| Compound Synonyms | Narchinol C, CHEMBL1933708, (4R,4aS,5R,7R)-4,7-dihydroxy-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4R,4aS,5R,7R)-4,7-dihydroxy-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C12H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPVZRKBKGSHLGP-VNOQCFOKSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -0.83 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.417 |
| Compound Name | Narchinol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5721934 |
| Inchi | InChI=1S/C12H16O3/c1-7-5-8(13)6-9-10(14)3-4-11(15)12(7,9)2/h3-4,6-8,11,13,15H,5H2,1-2H3/t7-,8-,11-,12+/m1/s1 |
| Smiles | C[C@@H]1C[C@H](C=C2[C@]1([C@@H](C=CC2=O)O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all