Cochinchinenene D
PubChem CID: 23655937
Connections displayed (default: 10).
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| Compound Synonyms | COCHINCHINENENE D, CHEMBL254440, 4-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)-5-((E)-2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol, 4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol, BDBM50222760, 1-[2-(3,4,5-trihydroxystilbenyl)]-1-(4-hydroxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane, 956103-74-5 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P27487 |
| Iupac Name | 4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C30H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VJKKCVLVWDXUQG-GORDUTHDSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.522 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.127 |
| Compound Name | Cochinchinenene D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 484.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.967530933333333 |
| Inchi | InChI=1S/C30H28O6/c1-36-29-18-25(33)14-8-21(29)9-15-27(20-6-12-24(32)13-7-20)30-22(16-26(34)17-28(30)35)5-2-19-3-10-23(31)11-4-19/h2-8,10-14,16-18,27,31-35H,9,15H2,1H3/b5-2+ |
| Smiles | COC1=C(C=CC(=C1)O)CCC(C2=CC=C(C=C2)O)C3=C(C=C(C=C3O)O)/C=C/C4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dracaena Angustifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dracaena Cinnabari (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dracaena Ombet (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dracaena Terminalis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Homalium Cochinchinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Melodinus Cochinchinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Momordica Cochinchinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Mucuna Cochinchinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Stemona Cochinchinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Symplocos Cochinchinensis (Plant) Rel Props:Reference: