Hancinone C
PubChem CID: 6443896
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| Compound Synonyms | Hancinone C, 111843-10-8, 4,5-dimethoxy-2-prop-2-enyl-4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4,5-dimethoxy-4-(1-methyl-2-(3,4,5-trimethoxyphenyl)ethenyl)-2-(2-propenyl)-, (E)-, HY-N3987, AKOS032948902, DA-53831, F92848 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethoxy-2-prop-2-enyl-4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexa-2,5-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C23H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNCSXXRCEFAYFK-XNTDXEJSSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -4.197 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.054 |
| Compound Name | Hancinone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 400.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 400.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.376823648275862 |
| Inchi | InChI=1S/C23H28O6/c1-8-9-17-14-23(29-7,21(27-5)13-18(17)24)15(2)10-16-11-19(25-3)22(28-6)20(12-16)26-4/h8,10-14H,1,9H2,2-7H3/b15-10+ |
| Smiles | C/C(=C\C1=CC(=C(C(=C1)OC)OC)OC)/C2(C=C(C(=O)C=C2OC)CC=C)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Hancei (Plant) Rel Props:Source_db:cmaup_ingredients