1,3,5-Trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-methyl-9-acridone
PubChem CID: 10385901
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| Compound Synonyms | CHEMBL464846, SCHEMBL21541509, DTXSID501344355, BDBM50336476, 370095-45-7, 1,3,5-trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-methyl-9-acridone, 1,3,5-Trihydroxy-10-methyl-2,8-bis(3-methyl-2-buten-1-yl)-9(10H)-acridinone |
|---|---|
| Topological Polar Surface Area | 81.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 664.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O60911 |
| Iupac Name | 1,3,5-trihydroxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9-one |
| Prediction Hob | 0.0 |
| Target Id | NPT601 |
| Xlogp | 6.5 |
| Molecular Formula | C24H27NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYCRIHPNHAPQTH-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -2.652 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.24 |
| Compound Name | 1,3,5-Trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-methyl-9-acridone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 393.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 393.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.091535979310346 |
| Inchi | InChI=1S/C24H27NO4/c1-13(2)6-8-15-9-11-18(26)22-20(15)24(29)21-17(25(22)5)12-19(27)16(23(21)28)10-7-14(3)4/h6-7,9,11-12,26-28H,8,10H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1)O)N(C3=CC(=C(C(=C3C2=O)O)CC=C(C)C)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Flammula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gentiana Lactea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hortia Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Swinglea Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all