3,5-Dihydroxy-1,7-bis(3,4-dihydroxyphenyl)heptane
PubChem CID: 11131830
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,5-Dihydroxy-1,7-bis(3,4-dihydroxyphenyl)heptane, 408324-01-6, 4-[(3R,5R)-7-(3,4-dihydroxyphenyl)-3,5-dihydroxyheptyl]benzene-1,2-diol, CHEMBL463545, AKOS040761074, CS-0158995, (3R,5R)-3,5-dihydroxy-1,7-bis-(3,4-dihydroxyphenyl)heptane |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 4-[(3R,5R)-7-(3,4-dihydroxyphenyl)-3,5-dihydroxyheptyl]benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DACLCJIHILFMRQ-HUUCEWRRSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.6 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.374 |
| Compound Name | 3,5-Dihydroxy-1,7-bis(3,4-dihydroxyphenyl)heptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.433749 |
| Inchi | InChI=1S/C19H24O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14-15,20-25H,1-2,5-6,11H2/t14-,15-/m1/s1 |
| Smiles | C1=CC(=C(C=C1CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Jacquemontii (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Littoralis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Androsace Umbellata (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Anthriscus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cephalotaxus Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lemmaphyllum Microphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Opopanax Chironium (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Papaver Orientale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pelargonium Zonale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Tacca Chantrieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all