Solanidine
precursor
Showing entry for Solanidine
Identification
- PhytoHub ID
- PHUB000851
- Name
- Solanidine
- Systematic Name
- Not Available
- Synonyms
- Purapuridine
- Solamidine T
- Solancarpidine
- solanid-5-en-3beta-ol
- Solatubine
- CAS Number
- Not Available
- Average Mass
- 397.647
- Monoisotopic Mass
- 397.334465009
- Chemical Formula
- C27H43NO
- IUPAC Name
- (1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-ol
- InChI Key
- JVKYZPBMZPJNAJ-OQFNDJACSA-N
- InChI Identifier
InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
- SMILES
[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C
- Structure
Structure for Solanidine
Calculated Properties
- Solubility (ALOGPS)
- 3.96e-04 g/l
- LogS (ALOGPS)
- -6.00
- LogP (ALOGPS)
- 4.93
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 0
- Polar Surface Area
- 23.47
- Refractivity
- 120.8574
- Polarizability
- 50.38368290830682
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 12.46848020823706
- pKa (strongest acidic)
- 18.20428950550382
- Number of Rings
- 6
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 28374
- PubChem
- 65727
- MetaboLights
- MTBLC28374
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Steroid alkaloids
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Alkaloid metabolites
- Metabolite Sub-class
- Steroid alkaloids (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Solanidine | N-containing compounds | Alkaloids | Steroid alkaloids | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found