Byakangelicol (Biacangelicol)
PubChem CID: 616062
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| Compound Synonyms | Byakangelicol (Biacangelicol), 61046-59-1, Biacangelicol, Byakangelicol, SCHEMBL21986509, 9-[(3,3-dimethyloxiran-2-yl)methoxy]-4-methoxyfuro[3,2-g]chromen-7-one, AKOS040740395, ( inverted exclamation markA)-Byakangelicol, AA-504/20987039 |
|---|---|
| Topological Polar Surface Area | 70.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 515.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[(3,3-dimethyloxiran-2-yl)methoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ORBITTMJKIGFNH-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Byakangelicol (Biacangelicol) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5034766695652175 |
| Inchi | InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3 |
| Smiles | CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients