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Lucidamine B

PubChem CID: 23656475

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Compound Synonyms lucidamine B, 1-((6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo(c)phenanthridin-6-yl)propan-2-one, 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo[c]phenanthridin-6-yl]propan-2-one, CHEMBL252914, 956012-28-5
Topological Polar Surface Area 79.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 39.0
Isotope Atom Count 0.0
Molecular Complexity 916.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo[c]phenanthridin-6-yl]propan-2-one
Prediction Hob 0.0
Xlogp 7.3
Molecular Formula C33H39NO5
Prediction Swissadme 0.0
Inchi Key JBKDWQUWYFBOCS-QFIPXVFZSA-N
Fcsp3 0.3636363636363636
Logs -4.917
Rotatable Bond Count 8.0
Logd 3.835
Compound Name Lucidamine B
Prediction Hob Swissadme 0.0
Exact Mass 529.283
Formal Charge 0.0
Monoisotopic Mass 529.283
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 529.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -7.504887143589745
Inchi InChI=1S/C33H39NO5/c1-11-32(4,5)26-21-14-13-20-19-15-16-23(38-9)31(39-10)24(19)22(17-18(3)35)34(8)28(20)25(21)27(30(37)29(26)36)33(6,7)12-2/h11-16,22,36-37H,1-2,17H2,3-10H3/t22-/m0/s1
Smiles CC(=O)C[C@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=C(C=C3)C(=C(C(=C4C(C)(C)C=C)O)O)C(C)(C)C=C
Nring 4.0
Defined Bond Stereocenter Count 0.0