Bicolosin C
PubChem CID: 56682289
Connections displayed (default: 10).
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| Compound Synonyms | Bicolosin C, CHEMBL1835717, (6aR,11aR)-4-((2E)-3,7-dimethylocta-2,6-dienyl)-1-methoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol, (6aR,11aR)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, BDBM50355212 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 669.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P10481 |
| Iupac Name | (6aR,11aR)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C26H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQOZBCGTGONGDN-UJVMDJEKSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -3.671 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.767 |
| Compound Name | Bicolosin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.155281812903227 |
| Inchi | InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-23(29-4)24-25(19)30-14-20-18-11-9-17(27)12-22(18)31-26(20)24/h6,8-9,11-13,20,26-28H,5,7,10,14H2,1-4H3/b16-8+/t20-,26+/m0/s1 |
| Smiles | CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)OC)[C@H]3[C@@H](CO2)C4=C(O3)C=C(C=C4)O)/C)C |
| Nring | 3.0 |
| 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: