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Campesterol

PubChem CID: 173183

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Compound Synonyms CAMPESTEROL, 474-62-4, Campesterin, Campest-5-en-3beta-ol, 24(R)-methylcholesterol, Campasterol, Ergost-5-en-3-ol, (3beta,24R)-, NSC 224330, CHEBI:28623, 24alpha-Methylcholesterol, Ergost-5-en-3beta-ol, (24R)-, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (24R)ergost-5-en-3beta-ol, (24R)-5-Ergosten-3beta-ol, 5L5O665639, delta5-24-Isoergosten-3beta-ol, cholest 5-en-3-ol, 24-methyl, DTXSID801009891, UNII-5L5O665639, (3beta,24R)-ergost-5-en-3-ol, EINECS 207-484-4, NSC-224330, .DELTA.5-24-Isoergosten-3.beta.-ol, (24R)-24-methylcholest-5-en-3beta-ol, 24.alpha.-Methylcholesterol, Ergost-5-en-3-beta-ol, (24S)-beta-Methyl cholesterol, Ergost-5-en-3-ol, (3b,24R)-, MFCD28143670, (24R)-Methylcholest-5-en-3.beta.-ol, 24.alpha.-Methyl-5-cholesten-3.beta.-ol, Ergost-5-en-3-ol-, (24R, 3.beta.)-, 24a-Methylcholesterol, CAMPESTEROL [MI], 24-alpha-Methylcholesterol, SCHEMBL94161, CAMPESTEROL [WHO-DD], (24R)-5-Ergosten-3b-ol, 24-methyl-5-Cholestene-3-ol, CHEMBL520535, (24R)-Ergost-5-en-3b-ol, (3-beta)-Ergost-5-en-3-ol, 24a-Methyl-5-cholesten-3b-ol, DTXCID1020988, (24R)-5-Ergosten-3-beta-ol, (24R)-Ergost-5-en-3beta-ol, 24-Methylcholest-5-en-3beta-ol, (24R)-Ergost-5-en-3-beta-ol, GLXC-13285, (3b,24R)-Ergost-5-en-3-ol, (24R)-Methylcholest-5-en-3b-ol, 3 beta, 24R-ergost-5-en-3-ol, HY-N1459, LMST01030097, (3-beta-24R)-Ergost-5-en-3-ol, CS-6302, FC31663, NCGC00522517-01, AC-34100, MS-26818, CAMPESTEROL (CONSTITUENT OF PYGEUM), 1ST000522, NS00009246, (3.BETA.,24R)-ERGOST-5-EN-3-OL, C01789, CAMPESTEROL (CONSTITUENT OF SAW PALMETTO), CAMPESTEROL (CONSTITUENT OF PYGEUM) [DSC], Q2756479, CAMPESTEROL (CONSTITUENT OF SAW PALMETTO) [DSC], BF0849B6-7A25-4057-93A9-EB053E920C49, 207-484-4
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)CCC1C3CCCC3CCC21
Np Classifier Class Cholestane steroids, Ergostane steroids
Deep Smiles O[C@H]CC[C@]C=CC[C@@H][C@@H]6CC[C@][C@H]6CC[C@@H]5[C@@H]CC[C@H]CC)C))C))))C))))))C))))))))C6))C
Heavy Atom Count 29.0
Classyfire Class Steroids and steroid derivatives
Scaffold Graph Node Level C1CCC2C(C1)CCC1C3CCCC3CCC21
Classyfire Subclass Ergostane steroids
Isotope Atom Count 0.0
Molecular Complexity 620.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Uniprot Id Q15392, P26439
Iupac Name (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Prediction Hob 1.0
Class Steroids and steroid derivatives
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 8.8
Superclass Lipids and lipid-like molecules
Subclass Ergostane steroids
Gsk 4 400 Rule False
Molecular Formula C28H48O
Scaffold Graph Node Bond Level C1=C2CCCCC2C2CCC3CCCC3C2C1
Prediction Swissadme 0.0
Inchi Key SGNBVLSWZMBQTH-PODYLUTMSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9285714285714286
Logs -6.759
Rotatable Bond Count 5.0
State Solid
Logd 6.697
Synonyms (24R)Ergost-5-en-3beta-ol, (24R)Ergost-5-en-3b-ol, (24R)Ergost-5-en-3β-ol, 22,23-Dihydrobrassicasterol, Campesterol, (3beta)-isomer, Ergost-5-en-3 beta- ol, 24 epimer, 24 alpha-Methylcholest-5-en-3 beta-ol, 24-Methylcholesterol, Campesterol, (3beta,24xi)-isomer, (24R)-24-Methylcholest-5-en-3beta-ol, (24R)-24-Methylcholest-5-en-3β-ol, (24R)-5-Ergosten-3beta-ol, (24R)-5-Ergosten-3β-ol, (24R)-Methylcholest-5-en-3beta-ol, (24R)-Methylcholest-5-en-3β-ol, (3beta,24R)-Ergost-5-en-3-ol, (3Β,24R)-ergost-5-en-3-ol, 24(R)-Methylcholesterol, 24alpha-Methyl-5-cholesten-3beta-ol, 24alpha-Methylcholesterol, 24Α-methyl-5-cholesten-3β-ol, 24Α-methylcholesterol, Campasterol, Campesterin, delta5-24-Isoergosten-3beta-ol, Δ5-24-isoergosten-3β-ol, (24R)-Ergost-5-en-3beta-ol, (24R)-Ergost-5-en-3β-ol, Campesterol, campesterol, camposterol
Esol Class Poorly soluble
Functional Groups CC=C(C)C, CO
Compound Name Campesterol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 400.371
Formal Charge 0.0
Monoisotopic Mass 400.371
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 400.7
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -7.538284200000001
Inchi InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
Smiles C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Nring 4.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Ergosterols and derivatives
Np Classifier Superclass Steroids