9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID: 102465417
Connections displayed (default: 10).
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| Topological Polar Surface Area | 78.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 499.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMKUKYQGOPARRG-YHYXMXQVSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.045 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.216 |
| Compound Name | 9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.399676669565218 |
| Inchi | InChI=1S/C17H16O6/c1-10(9-18)5-7-22-17-15-12(6-8-21-15)14(20-2)11-3-4-13(19)23-16(11)17/h3-6,8,18H,7,9H2,1-2H3/b10-5- |
| Smiles | C/C(=C/COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Profunda (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Source_db:cmaup_ingredients