Tetrahydrocoptisine
PubChem CID: 6770
Connections displayed (default: 10).
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| Compound Synonyms | Tetrahydrocoptisine, 4312-32-7, Stylopine, (-)-STYLOPINE, dl-Stylopine, (R,S)-Stylopine, 7461-02-1, 6,7,12b,13-Tetrahydro-4H-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,5-g]isoquinoline, (RS)-Stylopine, ( inverted exclamation markA)-Stylopine, STYLOPINE, (-)-(RG)(CALL), 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene, 7461-02-1 (racemic), NSC 110382, Coptisine, tetrahydro-, (.+-.)-Tetrahydrocoptisine, STYLOPINE, (+/-)-(P), NSC-110382, (.+-.)-Stylopine, (.+/-.)-Stylopine, Stylopine, (.+-.)-, Stylopine (Trahydocoptisine), Oprea1_614048, Stylopine, (.+/-.)-, SCHEMBL433598, (.+/-.)-Tetrahydrocoptisine, Stylopine (Tetrahydrocoptisine), CHEMBL3343660, DTXSID50904180, UXYJCYXWJGAKQY-UHFFFAOYSA-N, HAA46102, HY-N0924, NSC110382, NSC404529, AKOS000277992, AKOS016843796, FT73995, NSC-404529, TETRAHYDROCOPTISINE, (-)-STYLOPINE, AS-77471, DB-050264, F17720, AC-542/20643024, Berbine,3:9,10-bis(methylenedioxy)-, (.+-.)-, Q28603617, Berbine, 2,3:9,10-bis(methylenedioxy)-, (.+/-.)-, 4H-Bis[1,6-a:4',5'-g]quinolizine, 6,7,12b,13-tetrahydro-, 4H-Bis[1,6-a:4',5'-g]quinolizine, 6,7,12b,13-tetrahydro-, (.+-.)-, 4H-Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine, 6,7,12b,13-tetrahydro-, (.+/-.)-, 5,7,17,19-TETRAOXA-13-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)?]TETRACOSA-2,4(8),9,15(23),16(20),21-HEXAENE, 6,7,12b,13-Tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4',5':7,8]isoquino[3,2-a]isoquinoline # |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene |
| Prediction Hob | 1.0 |
| Class | Protoberberine alkaloids and derivatives |
| Xlogp | 3.0 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C19H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXYJCYXWJGAKQY-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.547 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.829 |
| Synonyms | Stylopine, 14C-labeled, (+,-)-isomer, Stylopine, 6,7,12b,13-Tetrahydro-4H-bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, Stylopine, (S)-isomer |
| Compound Name | Tetrahydrocoptisine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 323.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.0921576 |
| Inchi | InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2 |
| Smiles | C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Protoberberine alkaloids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corydalis Remota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hylomecon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Rhaponticum Carthamoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all