Calanhydroquinone A
PubChem CID: 25243532
Connections displayed (default: 10).
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| Compound Synonyms | CALANHYDROQUINONE A, CHEMBL539644, 5,7-dimethoxy-9,10-dihydrophenanthrene-1,4,6-triol |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,7-dimethoxy-9,10-dihydrophenanthrene-1,4,6-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUXUPTMINAVZIB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.023 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.653 |
| Compound Name | Calanhydroquinone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.631910942857143 |
| Inchi | InChI=1S/C16H16O5/c1-20-12-7-8-3-4-9-10(17)5-6-11(18)14(9)13(8)16(21-2)15(12)19/h5-7,17-19H,3-4H2,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)CCC3=C(C=CC(=C32)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Calanthe Arisanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Calanthe Tricarinata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Calanthe Triplicata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Daphne Arisanensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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FOUND_INto/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Gentiana Arisanensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
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