Ancistrolikokine A
PubChem CID: 10476499
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| Compound Synonyms | Ancistrolikokine A, 297749-36-1, (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol, 8-Isoquinolinol, 1,2,3,4-tetrahydro-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl)-6-methoxy-1,2,3-trimethyl-, (1R,3R,5S)-, CHEMBL488404 |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 587.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C25H29NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANPZWXGVVSLGLN-HUUCEWRRSA-N |
| Fcsp3 | 0.36 |
| Logs | -5.243 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.702 |
| Compound Name | Ancistrolikokine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 407.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 407.21 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 407.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.776228666666667 |
| Inchi | InChI=1S/C25H29NO4/c1-13-9-17-16(7-8-19(27)25(17)21(10-13)29-5)24-18-11-14(2)26(4)15(3)23(18)20(28)12-22(24)30-6/h7-10,12,14-15,27-28H,11H2,1-6H3/t14-,15-/m1/s1 |
| Smiles | C[C@@H]1CC2=C([C@H](N1C)C)C(=CC(=C2C3=C4C=C(C=C(C4=C(C=C3)O)OC)C)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ancistrocladus Likoko (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all