(3R)-3,5,8-trihydroxy-6-methoxy-2,2,7-trimethyl-3,4-dihydropyrano[2,3-a]acridin-12-one
PubChem CID: 162880252
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.5 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,5,8-trihydroxy-6-methoxy-2,2,7-trimethyl-3,4-dihydropyrano[2,3-a]acridin-12-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C20H21NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QAUFACGSJSABOB-GFCCVEGCSA-N |
| Fcsp3 | 0.35 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (3R)-3,5,8-trihydroxy-6-methoxy-2,2,7-trimethyl-3,4-dihydropyrano[2,3-a]acridin-12-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.137 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 371.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.614915503703704 |
| Inchi | InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3/t12-/m1/s1 |
| Smiles | CC1([C@@H](CC2=C(C(=C3C(=C2O1)C(=O)C4=C(N3C)C(=CC=C4)O)OC)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Flammula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Lactea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hortia Arborea (Plant) Rel Props:Source_db:cmaup_ingredients