7-(8-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-7-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
PubChem CID: 5318907
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| Topological Polar Surface Area | 90.5 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(8-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-7-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Is Pains | False |
| Molecular Formula | C36H32N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUZFPCZRWOCBHX-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 7-(8-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-7-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 556.236 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 556.236 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 556.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.937599638095238 |
| Inchi | InChI=1S/C36H32N2O4/c1-17-15-21-27-23(37-31(21)19-11-13-35(3,4)41-33(17)19)7-9-25(39)29(27)30-26(40)10-8-24-28(30)22-16-18(2)34-20(32(22)38-24)12-14-36(5,6)42-34/h7-16,37-40H,1-6H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C(=C(C=C4)O)C5=C(C=CC6=C5C7=C(N6)C8=C(C(=C7)C)OC(C=C8)(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients