(1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID: 162875485
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C24H33NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCTXZDQPRLPYOB-RTWAWAEBSA-N |
| Fcsp3 | 0.5416666666666666 |
| Logs | -6.022 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.671 |
| Compound Name | (1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 383.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.246 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 383.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.499169828571429 |
| Inchi | InChI=1S/C24H33NO3/c1-16(2)6-5-7-18-8-10-20(21(12-18)24(26)25-14-17(3)4)19-9-11-22-23(13-19)28-15-27-22/h6,8-9,11,13,17,20-21H,5,7,10,12,14-15H2,1-4H3,(H,25,26)/t20-,21+/m1/s1 |
| Smiles | CC(C)CNC(=O)[C@H]1CC(=CC[C@@H]1C2=CC3=C(C=C2)OCO3)CCC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Austriaca (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrysolaena Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Daphne Blagayana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Digitalis Obscura (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Erythrina Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lotus Villosus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mesua Elegans (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Michelia Rajaniana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Onychopetalum Amazonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stevia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Vernonia Tufnellae (Plant) Rel Props:Source_db:cmaup_ingredients