(+)-Peusedanol
PubChem CID: 15296614
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| Compound Synonyms | (+)-Peusedanol, 20516-23-8, Peucedanol, (+)-Peucedanol, 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one, C14H16O5, (R)-Peucedanol, (+)-Peusedanol (Standard), HY-N6063R, HY-N6063, AKOS037514774, FP145196, MS-23728, CS-0032277, G13932 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WRTWKAQFZYXAEJ-GFCCVEGCSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -2.395 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.292 |
| Compound Name | (+)-Peusedanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 264.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3171910842105259 |
| Inchi | InChI=1S/C14H16O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,12,15-16,18H,6H2,1-2H3/t12-/m1/s1 |
| Smiles | CC(C)([C@@H](CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients