Sitostanol-beta
precursor
Showing entry for Sitostanol-beta
Identification
- PhytoHub ID
- PHUB000478
- Name
- Sitostanol-beta
- Systematic Name
- Not Available
- Synonyms
- Dihydrositosterol
- Fucostanol
- Stigmastanol
- CAS Number
- Not Available
- Average Mass
- 416.734
- Monoisotopic Mass
- 416.401816294
- Chemical Formula
- C29H52O
- IUPAC Name
- (7S,9aS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
- InChI Key
- LGJMUZUPVCAVPU-REUBFNFGSA-N
- InChI Identifier
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22?,23+,24?,25?,26?,27?,28+,29-/m1/s1
- SMILES
CC[C@H](CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
- Structure
Structure for Sitostanol-beta
Calculated Properties
- Solubility (ALOGPS)
- 1.14e-05 g/l
- LogS (ALOGPS)
- -7.56
- LogP (ALOGPS)
- 7.23
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 6
- Polar Surface Area
- 20.23
- Refractivity
- 128.91609999999997
- Polarizability
- 54.728449282991974
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.3569562491413656
- pKa (strongest acidic)
- 18.296396321121705
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Phytosterols
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Almond | Nuts | Publications | Show | |
| Brazil nut | Nuts | Publications | Show | |
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Cashew nut | Nuts | Publications | Show | |
| Cauliflower | Vegetables, Cabbages | Publications | Show | |
| Celeriac | Vegetables, Root vegetables | Publications | Show | |
| Chocolate | Cocoa and cocoa products | Publications | Show | |
| Common hazelnut | Nuts | Publications | Show | |
| Common walnut | Nuts | Publications | Show | |
| Common wheat | Cereals and cereal products | Publications | Show | |
| Flaxseed | Oilseed crops | Publications | Show | |
| Peanut | Nuts | Publications | Show | |
| Pecan nut | Nuts | Publications | Show | |
| Pine nut | Nuts | Publications | Show | |
| Pistachio | Nuts | Publications | Show | |
| Poppy | Oilseed crops | Publications | Show | |
| Sunflower | Oilseed crops | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available