[3,7-Dihydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-8-yl]-phenylmethanone
PubChem CID: 101020998
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,7-dihydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-8-yl]-phenylmethanone |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C24H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWGWKJGQQHUWCP-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.26 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.506 |
| Compound Name | [3,7-Dihydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-8-yl]-phenylmethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 396.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.651201496551725 |
| Inchi | InChI=1S/C24H28O5/c1-14(2)11-12-16-21(27)19(20(26)15-9-7-6-8-10-15)23-17(22(16)28-5)13-18(25)24(3,4)29-23/h6-11,18,25,27H,12-13H2,1-5H3 |
| Smiles | CC(=CCC1=C(C2=C(C(=C1O)C(=O)C3=CC=CC=C3)OC(C(C2)O)(C)C)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Pseudoguttifera (Plant) Rel Props:Source_db:cmaup_ingredients