Methoxymecambridine
PubChem CID: 3037001
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| Compound Synonyms | Methoxymecambridine, 104683-31-0, 5,8,13,13a-Tetrahydro-4,10,11,14(or 5,10,11,14)-tetramethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-4,10,11,14(or 5,10,11,14)-tetramethoxy-, DTXSID00909125, (3,9,17,18-tetramethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2(10),3,8,15,17,19-hexaen-19-yl)methanol, (4,10,11,14-Tetramethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-12-yl)methanol |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 623.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3,9,17,18-tetramethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2(10),3,8,15,17,19-hexaen-19-yl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C23H27NO7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDGPIMLRHZVRSD-UHFFFAOYSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -1.923 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.305 |
| Compound Name | Methoxymecambridine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 429.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 429.179 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 429.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8262594129032275 |
| Inchi | InChI=1S/C23H27NO7/c1-26-17-7-12-9-24-6-5-13-18(16(24)8-14(12)15(10-25)19(17)27-2)21(29-4)23-22(20(13)28-3)30-11-31-23/h7,16,25H,5-6,8-11H2,1-4H3 |
| Smiles | COC1=C(C(=C2CC3C4=C(CCN3CC2=C1)C(=C5C(=C4OC)OCO5)OC)CO)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Meconopsis Punicea (Plant) Rel Props:Source_db:cmaup_ingredients