Angenomalin
PubChem CID: 5318874
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| Compound Synonyms | Angenomalin, 18199-64-9, 8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one, DA-61061, NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLRXMMDATRQQNQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.822 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.799 |
| Compound Name | Angenomalin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5883255176470588 |
| Inchi | InChI=1S/C14H12O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-6,12H,1,7H2,2H3 |
| Smiles | CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Taiwaniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Talwaniana (Plant) Rel Props:Source_db:npass_chem_all