Chiricanine C
PubChem CID: 10893817
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| Compound Synonyms | Chiricanine C, 3-methoxy-2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol, 3-methoxy-2,4-bis(3-methylbut-2-enyl)-5-((E)-2-phenylethenyl)phenol, CHEMBL512168, 350593-32-7 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 7.7 |
| Molecular Formula | C25H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMMOCDBCJOUFDQ-BUHFOSPRSA-N |
| Fcsp3 | 0.28 |
| Logs | -5.314 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.816 |
| Compound Name | Chiricanine C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 362.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.780269488888891 |
| Inchi | InChI=1S/C25H30O2/c1-18(2)11-15-22-21(14-13-20-9-7-6-8-10-20)17-24(26)23(25(22)27-5)16-12-19(3)4/h6-14,17,26H,15-16H2,1-5H3/b14-13+ |
| Smiles | CC(=CCC1=C(C(=C(C=C1/C=C/C2=CC=CC=C2)O)CC=C(C)C)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gossypium Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lonchocarpus Chiricanus (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all