(3R)-7-hydroxy-3-(4-hydroxybenzyl)chromane
PubChem CID: 46883199
Connections displayed (default: 10).
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| Compound Synonyms | (3R)-7-hydroxy-3-(4-hydroxybenzyl)chromane, CHEMBL1080797, HY-N8917, AKOS040761244, CS-0149366 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3R)-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXMQROMLTBPBKV-GFCCVEGCSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.34 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.137 |
| Compound Name | (3R)-7-hydroxy-3-(4-hydroxybenzyl)chromane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9253346210526314 |
| Inchi | InChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2/t12-/m1/s1 |
| Smiles | C1[C@H](COC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dichroa Febrifuga (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dracaena Angustifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dracaena Cinnabari (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dracaena Ombet (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dracaena Terminalis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Holarrhena Febrifuga (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all