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Clausenawalline E

PubChem CID: 57409126

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Compound Synonyms Clausenawalline E, 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano(3,2-g)carbazol-9-ol, 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol, CHEMBL2037026
Topological Polar Surface Area 90.5
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 38.0
Isotope Atom Count 0.0
Molecular Complexity 925.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
Prediction Hob 0.0
Xlogp 7.4
Molecular Formula C32H28N2O4
Prediction Swissadme 0.0
Inchi Key PLMGKTMPOCPSEV-UHFFFAOYSA-N
Fcsp3 0.1875
Logs -4.982
Rotatable Bond Count 2.0
Logd 4.631
Compound Name Clausenawalline E
Prediction Hob Swissadme 0.0
Exact Mass 504.205
Formal Charge 0.0
Monoisotopic Mass 504.205
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 504.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.998448989473686
Inchi InChI=1S/C32H28N2O4/c1-15-12-18-22(14-25(15)37-5)33-21-6-8-23(35)28(27(18)21)29-30-19(13-16(2)31(29)36)26-17-10-11-32(3,4)38-24(17)9-7-20(26)34-30/h6-14,33-36H,1-5H3
Smiles CC1=CC2=C(C=C1OC)NC3=C2C(=C(C=C3)O)C4=C(C(=CC5=C4NC6=C5C7=C(C=C6)OC(C=C7)(C)C)C)O
Nring 7.0
Defined Bond Stereocenter Count 0.0