1,3,5-Trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9(10h)-one
PubChem CID: 53316985
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1668597, DTXSID601344358, BDBM50336477, 1,3,5-Trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methyl-2-buten-1-yl)-9(10H)-acridinone, 1,3,5-trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9(10h)-one, 935521-55-4 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 711.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O60911 |
| Iupac Name | 1,3,5-trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT601 |
| Xlogp | 6.4 |
| Molecular Formula | C25H29NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LICNIJQEAUQKSD-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.112 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.128 |
| Compound Name | 1,3,5-Trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9(10h)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 423.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 423.205 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 423.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.169749348387096 |
| Inchi | InChI=1S/C25H29NO5/c1-13(2)7-9-15-10-12-17(27)20-18(15)24(30)19-21(26(20)5)25(31-6)23(29)16(22(19)28)11-8-14(3)4/h7-8,10,12,27-29H,9,11H2,1-6H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1)O)N(C3=C(C2=O)C(=C(C(=C3OC)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:npass_chem_all