Acronidine
PubChem CID: 266046
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| Compound Synonyms | Acronidine, 518-68-3, 5,11-dimethoxy-3,3-dimethyl-3H-furo[2,3-b]pyrano[3,2-f]quinoline, CHEBI:2435, DTXSID40295554, 8,17-dimethoxy-5,5-dimethyl-6,13-dioxa-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,7,9,11,14,16-heptaene, 5,11-Dimethoxy-3,3-dimethyl-3H-furo(2,3-b)pyrano(3,2-f)quinoline, 8,17-dimethoxy-5,5-dimethyl-6,13-dioxa-11-azatetracyclo(8.7.0.02,7.012,16)heptadeca-1,3,7,9,11,14,16-heptaene, DTXCID90246692, NSC103016, NSC-103016, DS-008855, Q27105665 |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,17-dimethoxy-5,5-dimethyl-6,13-dioxa-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,7,9,11,14,16-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MUJFBNIGLPDCAE-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.521 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.881 |
| Compound Name | Acronidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 311.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 311.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4442502695652175 |
| Inchi | InChI=1S/C18H17NO4/c1-18(2)7-5-10-14-12(9-13(20-3)15(10)23-18)19-17-11(6-8-22-17)16(14)21-4/h5-9H,1-4H3 |
| Smiles | CC1(C=CC2=C3C(=CC(=C2O1)OC)N=C4C(=C3OC)C=CO4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients