3-Deoxyryanodol
PubChem CID: 75069470
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Deoxyryanodol, Cinnzeylanol, 62394-04-1, 3-Deoxy-Ryanodol, MCA39404, NS00067895, 3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of the dried bark of Cinnamomum zeylanicum (cinnamon) and of Cinnamomum cassia (Chinese cinnamon) [CCD]. Cinnzeylanol is found in chinese cinnamon, ceylon cinnamon, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 759.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | -0.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H32O7 |
| Inchi Key | TVHZPQAYPSOHQT-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | solid |
| Synonyms | 3-Deoxy-ryanodol, 3-Deoxyryanodol, Ryanodol, 3-deoxy- |
| Compound Name | 3-Deoxyryanodol |
| Kingdom | Organic compounds |
| Exact Mass | 384.215 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 384.215 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 384.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3 |
| Smiles | CC1CCC2(C3(CC4(C5(C(CC3(C5(C2(C1O)O4)O)O)(C(C)C)O)C)O)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all