2,4,7-Trihydroxy-9,10-dihydrophenanthrene
PubChem CID: 21678577
Connections displayed (default: 10).
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| Compound Synonyms | 2,4,7-trihydroxy-9,10-dihydrophenanthrene, 70205-52-6, 9,10-dihydrophenanthrene-2,4,7-triol, CHEMBL5280264, SCHEMBL21582169, HY-N7155, AKOS040760196, CS-0103697, E88877, B0005-053939 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10-dihydrophenanthrene-2,4,7-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZQKVXUXKVNUBG-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.331 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.07 |
| Compound Name | 2,4,7-Trihydroxy-9,10-dihydrophenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5288843411764708 |
| Inchi | InChI=1S/C14H12O3/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-13(17)14(9)12/h3-7,15-17H,1-2H2 |
| Smiles | C1CC2=C(C3=C1C=C(C=C3)O)C(=CC(=C2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients