Chrysotobibenzyl
PubChem CID: 3086528
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| Compound Synonyms | Chrysotobibenzyl, 108853-09-4, Aloifol II dimethyl ether, 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene, Benzene, 5-(2-(3,4-dimethoxyphenyl)ethyl)-1,2,3-trimethoxy-, Benzene, 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxy-, CHEMBL307158, SCHEMBL20696534, DTXSID20148751, 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxy-benzene, DA-51888, Chrysotobibenzyl, Aloifol II dimethyl ether, HY-122552, CS-0086750 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XKKZNLRWNSUNBW-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.025 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.339 |
| Compound Name | Chrysotobibenzyl |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9982552000000005 |
| Inchi | InChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Conspersa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gynochthodes Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ligustrum Ovalifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Mespilus Germanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Mikania Luetzelburgii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Pittosporum Brevicalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sideritis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Solanum Euacanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Ungernia Victoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all