2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-11-ol
PubChem CID: 46216998
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3758667 |
|---|---|
| Topological Polar Surface Area | 61.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-11-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C21H22NO5+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | UORJSDWCVYZJLA-UHFFFAOYSA-O |
| Fcsp3 | 0.2857142857142857 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-11-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.15 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 368.15 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.379080244444445 |
| Inchi | InChI=1S/C21H21NO5/c1-24-18-9-12-5-6-22-11-15-13(7-16(22)14(12)10-19(18)25-2)8-17(23)21(27-4)20(15)26-3/h7-11H,5-6H2,1-4H3/p+1 |
| Smiles | COC1=C(C=C2C(=C1)CC[N+]3=CC4=C(C(=C(C=C4C=C23)O)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achyrocline Satureioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brickellia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Horsfieldia Iryaghedhi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hymenoxys Ivesiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Karwinskia Subcordata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Maytenus Octogona (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Medicago Hispida (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Passiflora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Stephania Glabra (Plant) Rel Props:Source_db:cmaup_ingredients