(2R)-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-ol
PubChem CID: 162871212
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C17H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LBPYYESORPCEGV-QGZVFWFLSA-N |
| Fcsp3 | 0.4117647058823529 |
| Rotatable Bond Count | 4.0 |
| Compound Name | (2R)-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 274.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.277332 |
| Inchi | InChI=1S/C17H22O3/c1-12(2)6-5-8-17(3)9-7-13-10-14(18)11-15(19-4)16(13)20-17/h6-7,9-11,18H,5,8H2,1-4H3/t17-/m1/s1 |
| Smiles | CC(=CCC[C@@]1(C=CC2=C(O1)C(=CC(=C2)O)OC)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Bournei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nepeta Hindostana (Plant) Rel Props:Source_db:cmaup_ingredients