Phellodenol C
PubChem CID: 10879399
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| Compound Synonyms | Phellodenol C, 612086-89-2, 2H-1-Benzopyran-2-one, 7-hydroxy-6-((2Z)-4-hydroxy-3-methyl-2-butenyl)-, 7-hydroxy-6-((Z)-4-hydroxy-3-methylbut-2-enyl)chromen-2-one, 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUOLTTLEQHQQED-MBXJOHMKSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -2.299 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.408 |
| Compound Name | Phellodenol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.920135511111111 |
| Inchi | InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2- |
| Smiles | C/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients