| Common Name |
Alkaloid RC
| Description |
Alkaloid RC is an alkaloid RC is an alkaloid from Papaver rhoeas (corn poppy)
Alkaloid RC belongs to the family of glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (Inferred from compound structure)
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29361 (Alkaloid RC)
| Synonyms |
Not Available
| Chemical Formlia |
C26H29NO11
| Average Molecliar Weight |
531.5086
| Monoisotopic Molecliar Weight |
531.174060775
| IUPAC Name |
2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl}oxy)oxane-3,4,5-triol
| Traditional Name |
2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl}oxy)oxane-3,4,5-triol
| CAS Registry Number |
17948-36-6
| SMILES |
CN1CCC2=CC3=C(OCO3)C=C2C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C12
| InChI Identifier |
InChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3
| InChI Key |
LOJGKLLTOGPATF-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as rhoeadine alkaloids. These are alkaloids with a structure based on rhoeadine. They usually contain a benzazepine system fused with a six-membered hemiacetal or acetal.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Alkaloids and derivatives
| Sub Class |
Rhoeadine alkaloids
| Direct Parent |
Rhoeadine alkaloids
| Alternative Parents |
Hexoses
Benzazepines
O-glycosyl compounds
2-benzopyrans
Benzodioxoles
Aralkylamines
Azepines
Benzenoids
Oxanes
Trialkylamines
Secondary alcohols
Oxacyclic compounds
Acetals
Polyols
Azacyclic compounds
Primary alcohols
Hydrocarbon derivatives
Organopnictogen compounds
| Substituents |
Rhoeadine-skeleton
Hexose monosaccharide
Benzazepine
Glycosyl compound
O-glycosyl compound
Benzopyran
Isochromane
2-benzopyran
Benzodioxole
Azepine
Aralkylamine
Oxane
Benzenoid
Monosaccharide
Tertiary aliphatic amine
Secondary alcohol
Tertiary amine
Acetal
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Amine
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Primary alcohol
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point240 – 242 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility3.81 mg/mLALOGPS
logP0.37ALOGPS
logP0.61ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)6.16ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area148.77 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity126.44 m3·mol-1ChemAxon
Polarizability53.89 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000426
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29361
| Metagene Link |
HMDB29361
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Lysipressin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 17428998
