This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

12-Deoxytanshinquinone B

PubChem CID: 15484930

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 12-DEOXYTANSHINQUINONE B, CHEMBL227129, BDBM50476410, 8-methyl-2-propan-2-ylphenanthrene-1,4-dione
Topological Polar Surface Area 34.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 460.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q99814, n.a.
Iupac Name 8-methyl-2-propan-2-ylphenanthrene-1,4-dione
Prediction Hob 1.0
Xlogp 4.2
Molecular Formula C18H16O2
Prediction Swissadme 0.0
Inchi Key XFSVVSSHBNDWTE-UHFFFAOYSA-N
Fcsp3 0.2222222222222222
Logs -4.015
Rotatable Bond Count 1.0
Logd 3.887
Compound Name 12-Deoxytanshinquinone B
Prediction Hob Swissadme 0.0
Exact Mass 264.115
Formal Charge 0.0
Monoisotopic Mass 264.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 264.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.4288088000000005
Inchi InChI=1S/C18H16O2/c1-10(2)15-9-16(19)17-13-6-4-5-11(3)12(13)7-8-14(17)18(15)20/h4-10H,1-3H3
Smiles CC1=C2C=CC3=C(C2=CC=C1)C(=O)C=C(C3=O)C(C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0