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Cepharanthine

PubChem CID: 10206

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Compound Synonyms CEPHARANTHINE, 481-49-2, Cepharanthin, (+)-Cepharanthine, O-Methylcepharanoline, Cepharantin, Cepharanthine [JAN], CCRIS 6539, 6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan, Cepharanthine (TN), NSC 623442, NSC-623442, UNII-7592YJ0J6T, BRN 0075231, CHEBI:3546, Cepharanthine (JAN), DTXSID6045957, 7592YJ0J6T, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene, CEPHARANTHINE [MI], CEPHARANTHINE [WHO-DD], DTXCID4025957, 4-27-00-09061 (Beilstein Handbook Reference), Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-, NSC623442, ecaene (non-preferred name), 22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene, CAS-481-49-2, SR-01000779734, Cepharanthin,(S), NCGC00095194-01, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo(25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35))nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo(25.6.2.216,19.13,10.121,25.04,8.031,35.014,39)nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod, Ex Cepharantha tuber, MFCD00210482, Cepharanthine (Standard), Spectrum2_000832, Spectrum3_001963, UPCMLD-DP054, BSPBio_003563, MLS000728518, SCHEMBL154545, SPECTRUM1505322, SPBio_000783, CHEMBL449782, UPCMLD-DP054:001, HY-N6972R, KBio3_002909, Cepharanthine, >=95% (HPLC), Cepharanthine, >=98% (HPLC), HMS1922J12, HMS2232F21, Pharmakon1600-01505322, HY-N6972, Tox21_111483, BBL030154, BDBM50423643, CCG-40294, NSC758965, s4238, STK801907, AKOS004119865, Tox21_111483_1, FC66045, NSC-758965, SDCCGMLS-0066893.P001, NCGC00161621-01, NCGC00161621-02, NCGC00161621-03, NCGC00161621-05, NCGC00161621-13, AC-15206, AS-17451, DA-51781, SMR000445632, SBI-0207049.P001, CS-0007138, M2968, C09391, D01035, AB00643356_08, AB00643356_09, SR-01000779734-3, SR-01000779734-4, BRD-K96194081-001-06-0, BRD-K96194081-001-10-2, BRD-K96194081-001-11-0, Q15410888, 6',12'-Dimethoxy-2,2'-dimethyl-6,7-[methylenebis-(oxy)]oxyacanthan, Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-(9CI), (14S,27R)-22,33-DIMETHOXY-13,28-DIMETHYL-2,5,7,20-TETRAOXA-13,28-DIAZAOCTACYCLO[25.6.2.2(1)?,(1)?.1(3),(1)?.1(2)(1),(2)?.0?,?.0(3)(1),(3)?.0(1)?,(3)?]NONATRIACONTA-1(34),3(39),4(8),9,16,18,21(36),22,24,31(35),32,37-DODECAENE, (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene
Topological Polar Surface Area 61.9
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 45.0
Isotope Atom Count 0.0
Molecular Complexity 994.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id P28593, B2RXH2, Q9NUW8, P25779, P10636, Q03164, O15118, P51450, P04062, O75164, Q16236, Q96KQ7, P83916, P39748, P84022, O75496, Q99700, P43220, O42275, P81908, O75874, n.a., Q9Y6L6, Q9NPD5, Q5T3U5, P34897, P0DTD1, Q03181, P10275, P19838, P05412
Iupac Name (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene
Prediction Hob 0.0
Target Id NPT48, NPT50, NPT51, NPT538
Xlogp 6.5
Molecular Formula C37H38N2O6
Prediction Swissadme 0.0
Inchi Key YVPXVXANRNDGTA-WDYNHAJCSA-N
Fcsp3 0.3513513513513513
Logs -6.589
Rotatable Bond Count 2.0
Logd 3.779
Compound Name Cepharanthine
Prediction Hob Swissadme 0.0
Exact Mass 606.273
Formal Charge 0.0
Monoisotopic Mass 606.273
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 606.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -7.9845244666666675
Inchi InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
Smiles CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Nring 9.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Ardisia Hortorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Doronicum Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Euphorbia Characias (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Lithocarpus Haipinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Oxytropis Lanata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Populus Balsamifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Sphaerophysa Salsula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Stephania Cepharantha (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Stephania Epigaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Stephania Erecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Strychnos Gossweileri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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