[(Z)-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbut-2-enyl] 3-methylbutanoate
PubChem CID: 155516005
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| Compound Synonyms | CHEMBL4442740 |
|---|---|
| Topological Polar Surface Area | 84.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 654.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbut-2-enyl] 3-methylbutanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C22H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOTAXKOAJQZAMX-AUWJEWJLSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.831 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.683 |
| Compound Name | [(Z)-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbut-2-enyl] 3-methylbutanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 400.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 400.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7298715379310354 |
| Inchi | InChI=1S/C22H24O7/c1-13(2)11-18(24)28-12-14(3)7-9-27-22-20-16(8-10-26-20)19(25-4)15-5-6-17(23)29-21(15)22/h5-8,10,13H,9,11-12H2,1-4H3/b14-7- |
| Smiles | CC(C)CC(=O)OC/C(=C\COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients