Eustifoline C
PubChem CID: 14635307
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| Compound Synonyms | Eustifoline C, 4-((2E)-3,7-dimethylocta-2,6-dienyl)-6-methyl-9H-carbazol-3-ol, 4-((2Z)-3,7-dimethylocta-2,6-dienyl)-6-methyl-9H-carbazol-3-ol, 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methyl-9H-carbazol-3-ol, 4-[(2Z)-3,7-dimethylocta-2,6-dienyl]-6-methyl-9H-carbazol-3-ol, CHEMBL2323765, 133740-41-7 |
|---|---|
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methyl-9H-carbazol-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C23H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MFGOZKCFDYMVEK-LZYBPNLTSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -4.383 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.866 |
| Compound Name | Eustifoline C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 333.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 333.209 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 333.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.4857450000000005 |
| Inchi | InChI=1S/C23H27NO/c1-15(2)6-5-7-16(3)8-10-18-22(25)13-12-21-23(18)19-14-17(4)9-11-20(19)24-21/h6,8-9,11-14,24-25H,5,7,10H2,1-4H3/b16-8+ |
| Smiles | CC1=CC2=C(C=C1)NC3=C2C(=C(C=C3)O)C/C=C(\C)/CCC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all