trans-Norbixin
PubChem CID: 25245949
Connections displayed (default: 10).
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| Compound Synonyms | trans-norbixin |
|---|---|
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 729.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C24H26O4-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVKOASAVGLETCT-UOGKPENDSA-L |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.419 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.242 |
| Compound Name | trans-Norbixin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.183 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 378.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 378.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 9.0 |
| Esol | -7.700501600000001 |
| Inchi | InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/p-2/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+ |
| Smiles | C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[O-])/C)/C)/C=C/C=C(/C=C/C(=O)[O-])\C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 9.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bixa Orellana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients