Lakoochin A
PubChem CID: 3012524
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| Compound Synonyms | lakoochin A, 2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol, 2-(3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl)-1-benzofuran-6-ol, CHEMBL463296, BDBM50284005, 2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol, 6-Benzofuranol, 2-[3,5-dimethoxy-2,6-bis(3-methyl-2-butenyl)phenyl]-, 672948-77-5 |
|---|---|
| Topological Polar Surface Area | 51.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 570.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P06276, O42275 |
| Iupac Name | 2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT439 |
| Xlogp | 7.4 |
| Molecular Formula | C26H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHDJBHWCUVZCGP-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.913 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.601 |
| Compound Name | Lakoochin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.949336400000001 |
| Inchi | InChI=1S/C26H30O4/c1-16(2)7-11-20-23(28-5)15-24(29-6)21(12-8-17(3)4)26(20)25-13-18-9-10-19(27)14-22(18)30-25/h7-10,13-15,27H,11-12H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Lakoocha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all