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Germanicol

PubChem CID: 122857

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Compound Synonyms Germanicol, 465-02-1, olean-18-en-3beta-ol, (3beta)-olean-18-en-3-ol, (3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol, MOROL, 5alpha-olean-18-en-3beta-ol, 7NEX9512DZ, CHEBI:62455, Olean-18-en-3-ol, (3beta)-, UNII-7NEX9512DZ, OLEAN-18-EN-3.BETA.-OL, (3.BETA.)-OLEAN-18-EN-3-OL, OLEAN-18-EN-3-OL, (3.BETA.)-, Olean-18-en-3-ol, SCHEMBL361124, CHEMBL2023103, DTXSID00963585, GLXC-15153, AKOS040761781, DA-73704, HY-121199, CS-0080792, NS00076599, C19833, Q27131918, (3S,4aR,6aR,6bR,8aR,12bR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-eicosahydro-picen-3-ol
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class Oleanane triterpenoids
Deep Smiles O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6CC[C@H][C@@]6C)CC[C@@]C6=CCC)C)CC6)))))C)))))))))C)))))C
Heavy Atom Count 31.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass Triterpenoids
Isotope Atom Count 0.0
Molecular Complexity 790.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Iupac Name (3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 9.4
Gsk 4 400 Rule False
Molecular Formula C30H50O
Scaffold Graph Node Bond Level C1=C2C(CCC1)CCC1C2CCC2C3CCCCC3CCC12
Prediction Swissadme 0.0
Inchi Key QMUXVPRGNJLGRT-PNTWTTAKSA-N
Silicos It Class Poorly soluble
Fcsp3 0.9333333333333332
Logs -6.909
Rotatable Bond Count 0.0
Logd 5.611
Synonyms germanicol
Esol Class Poorly soluble
Functional Groups CC=C(C)C, CO
Compound Name Germanicol
Prediction Hob Swissadme 0.0
Exact Mass 426.386
Formal Charge 0.0
Monoisotopic Mass 426.386
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 426.7
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -8.395119800000002
Inchi InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
Smiles C[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
Nring 5.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Triterpenoids

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