Bicolosin B
PubChem CID: 56665359
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Bicolosin B, CHEMBL1835716, (6aR,11aR)-2-((2E)-3,7-dimethylocta-2,6-dienyl)-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol, (6aR,11aR)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, BDBM50355211 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P10481 |
| Iupac Name | (6aR,11aR)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C31H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIFJVFRJNUZYGI-NVKVKWIFSA-N |
| Fcsp3 | 0.4193548387096774 |
| Logs | -2.936 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.106 |
| Compound Name | Bicolosin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 474.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 474.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 474.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.841288485714288 |
| Inchi | InChI=1S/C31H38O4/c1-18(2)8-7-9-20(5)11-12-22-15-25-28(16-27(22)32)34-17-26-24-14-21(6)29(33)23(13-10-19(3)4)30(24)35-31(25)26/h8,10-11,14-16,26,31-33H,7,9,12-13,17H2,1-6H3/b20-11+/t26-,31-/m0/s1 |
| Smiles | CC1=CC2=C(C(=C1O)CC=C(C)C)O[C@@H]3[C@H]2COC4=C3C=C(C(=C4)O)C/C=C(\C)/CCC=C(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cacalia Bicolor (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Caladium Bicolor (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Christisonia Bicolor (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dichrocephala Bicolor (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Exacum Bicolor (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Gynura Bicolor (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Impatiens Bicolor (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Lespedeza Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lespedeza Cuneata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Lespedeza Juncea (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Lespedeza Maximowiczi (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Lespedeza Tomentosa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Macaranga Bicolor (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Maharanga Bicolor (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Rudbeckia Bicolor (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sorghum Bicolor (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Torenia Bicolor (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Tragia Bicolor (Plant) Rel Props:Reference: