Xyloidone
PubChem CID: 72734
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| Compound Synonyms | Xyloidone, Dehydro-alpha-lapachone, 15297-92-4, Dehydrolapachone, 2,2-dimethylbenzo[g]chromene-5,10-dione, Dehydro-.alpha.-lapachol, Dehydro-.alpha.-lapacone, Dehydro-.alpha.-lapachone, Xyloidone (VAN), 2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione, .alpha.-Lapachone, dehydro-, Dehydro-alpha-lapachol, Dehydro-alpha-lapacone, alpha-Lapachone, dehydro-, NSC 106453, NSC 629748, XILOIDONE, 305WY61CUF, Dehydro-, A-lapachone, DEHYDROPLAPACHONE, 2H-Naphtho[2,3-b]pyran-5,10-dione, 2,2-dimethyl-, LDN-22684, NSC106453, NSC629748, NSC-106453, NSC-629748, DTXSID30165176, 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl-, 2,2-DIMETHYL-2H-NAPHTHO(2,3-B)PYRAN-5,10-DIONE, Q 99 2,2-DIMETHYL-2H-NAPHTHO(2,3-B)PYRAN-5,10-DIONE, 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl- (8CI)(9CI), 2,2-dimethylbenzo(g)chromene-5,10-dione, LDN 22684, NSC 106453, NSC 629748, Xiloidone, Xyloidone, alpha-Lapachone, dehydro-, Dehydro-a-Lapachone, Dehydro-?-lapachone, UNII-305WY61CUF, CHEMBL272253, SCHEMBL3617968, 2,2-dimethyl-2H,5H,10H-benzo[g]chromene-5,10-dione, DTXCID9087667, BDBM24786, OWFHAMHRUCUSRM-UHFFFAOYSA-N, HY-N3706, Pyranonaphthoquinone derivative, 23, QAA29792, MFCD00022286, AKOS024341158, FS-10412, 2H-Naphtho[2,10-dione, 2,2-dimethyl-, DB-063966, CS-0024092, G67396, 2,2-dimethyl-2h-benzo [g]chromene-5,10-dione, 2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione #, AP-607/40962863, 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl-(8CI), 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl-(8CI)(9CI), LDN 22684, NSC 106453, NSC 629748, Xiloidone, Xyloidone, -Lapachone, dehydro-, 621-432-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | O=CC=CC=CCO6)C)C))))C=O)cc6cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Naphthopyrans |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2OCCCC12 |
| Classyfire Subclass | Naphthopyranones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14902, P15559, P16435 |
| Iupac Name | 2,2-dimethylbenzo[g]chromene-5,10-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT1078 |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O3 |
| Scaffold Graph Node Bond Level | O=C1C2=C(OCC=C2)C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWFHAMHRUCUSRM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.2 |
| Logs | -4.645 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.01 |
| Synonyms | dehydro-alpha-lapachone, dehydro-α-lapachone, xyloidone |
| Esol Class | Soluble |
| Functional Groups | O=C1ccC(=O)C2=C1C=CCO2 |
| Compound Name | Xyloidone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.2079662666666664 |
| Inchi | InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
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