Benzocamphorin H
PubChem CID: 71483264
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| Compound Synonyms | Benzocamphorin H, 4,6-dimethoxy-2-methyl-3-(3-methylbut-3-en-1-ynyl)phenol, CHEBI:208790 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6-dimethoxy-2-methyl-3-(3-methylbut-3-en-1-ynyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C14H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HLQDPYGDTHAJTB-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.364 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.23 |
| Compound Name | Benzocamphorin H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.721406270588235 |
| Inchi | InChI=1S/C14H16O3/c1-9(2)6-7-11-10(3)14(15)13(17-5)8-12(11)16-4/h8,15H,1H2,2-5H3 |
| Smiles | CC1=C(C(=CC(=C1O)OC)OC)C#CC(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colubrina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Orthosiphon Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients