(4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one
PubChem CID: 90675898
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| Compound Synonyms | CHEMBL3261110 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C18H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSBIYLUTRHKDDM-GOSISDBHSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.907 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.724 |
| Compound Name | (4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6741064 |
| Inchi | InChI=1S/C18H22O2/c1-11-8-12-13(9-14(11)19)18(4)7-5-6-17(2,3)16(18)10-15(12)20/h8-10,19H,5-7H2,1-4H3/t18-/m1/s1 |
| Smiles | CC1=CC2=C(C=C1O)[C@]3(CCCC(C3=CC2=O)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crossopetalum Gaumeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all