Dehydrojuncusol
PubChem CID: 5316773
Connections displayed (default: 10).
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| Compound Synonyms | Dehydrojuncusol, 117824-04-1, 5-ethenyl-1,6-dimethylphenanthrene-2,7-diol, CHEMBL4060785, SCHEMBL23754264, HY-N8188, SEA82404, AKOS040761597, FS-8255, DA-52411, CS-0140285, E88895 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-1,6-dimethylphenanthrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C18H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZVFYHBVHNNKGE-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.605 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.821 |
| Compound Name | Dehydrojuncusol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.219408799999999 |
| Inchi | InChI=1S/C18H16O2/c1-4-13-10(2)17(20)9-12-5-6-14-11(3)16(19)8-7-15(14)18(12)13/h4-9,19-20H,1H2,2-3H3 |
| Smiles | CC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)C=C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kopsia Flavida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Salvia Staminea (Plant) Rel Props:Source_db:cmaup_ingredients