11,12-Anhydroinophyllum P
PubChem CID: 455259
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| Compound Synonyms | CHEMBL134252, 11,12-Anhydroinophyllum P, BDBM50029985, 6,6,10,11-Tetramethyl-4-phenyl-6H,10H-dipyrano[2,3-f, 2'',3''-h]chromen-2-one |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (16R)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,17-hexaen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C25H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZCOPLIKCIKRCM-OAHLLOKOSA-N |
| Fcsp3 | 0.24 |
| Logs | -6.573 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.632 |
| Compound Name | 11,12-Anhydroinophyllum P |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0730472620689655 |
| Inchi | InChI=1S/C25H22O4/c1-14-12-19-22(27-15(14)2)17-10-11-25(3,4)29-24(17)21-18(13-20(26)28-23(19)21)16-8-6-5-7-9-16/h5-13,15H,1-4H3/t15-/m1/s1 |
| Smiles | C[C@@H]1C(=CC2=C3C(=C4C(=C2O1)C=CC(O4)(C)C)C(=CC(=O)O3)C5=CC=CC=C5)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Source_db:cmaup_ingredients