Reticulin
PubChem CID: 10233
Connections displayed (default: 10).
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| Compound Synonyms | 1699-46-3, Reticulin, 1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, ( inverted exclamation markA)-Reticuline, (R,S)-Reticuline, CHEBI:26533, (RS)-Reticuline, Compound NP-025371, SCHEMBL147596, DTXSID10862010, DL-Reticuline, (+/-)-Reticuline, AKOS030627825, FR76329, HY-135489, CS-0113232, B2703-142898, 1-[(3-Hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-, (S)- |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Alkaloid from Papaver somniferum (opium poppy) and Annona reticulata (custard apple) (S)-reticuline is an endogenous precursors of morphine. (PMID 15383669), (S)-Reticuline is a key intermediate in the synthesis of morphine, the major active metabolite of opium poppy., "Endogenous morphine" has been long isolated and authenticated by mass spectrometry in trace amounts from animal and human specific tissue or fluids. (PMID: 15874902), Recently, human neuroblastoma cells (SH-SY5Y) were shown capable of synthesizing morphine as well. (S)-reticuline undergoes a change of configuration at C-1 during its transformation to salutaridinol and thebaine. From thebaine, there is a bifurcate pathway leading to morphine proceeding via codeine or oripavine, in both plants and mammals. (PMID 15937106), Reticular fibers or reticulin is a histological term used to describe a type of fiber in connective tissue composed of type III collagen. Reticular fibers crosslink to form a fine meshwork (reticulum). This network acts as a supporting mesh in soft tissues such as liver, bone marrow, and the tissues and organs of the lymphatic system. (S)-Reticuline is found in many foods, some of which are tarragon, common bean, tinda, and other bread. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Class | Isoquinolines and derivatives |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzylisoquinolines |
| Molecular Formula | C19H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BHLYRWXGMIUIHG-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.766 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.97 |
| Synonyms | (+)-reticuline, (s)-(+)-reticuline, (s)-reticuline, D-Reticuline, L-(+)-Reticuline, REN, Reticline, Reticulin, Reticuline, S-(+)-Reticuline |
| Substituent Name | Benzylisoquinoline, Tetrahydroisoquinoline, Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Aralkylamine, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Tertiary aliphatic amine, Tertiary amine, Azacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Compound Name | Reticulin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 329.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8845552000000003 |
| Inchi | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Paratinospora Sagittata (Plant) Rel Props:Source_db:cmaup_ingredients