Compound

Lupeol

2D Structure
CID 259846
Target CDC42 , CES1 , CES2 , Nfkbia , PTPN1 , RAC1 , Rela , RHOA , TOP2A
IUPAC Name (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChI Key MQYXUWHLBZFQQO-QGTGJCAVSA-N
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
Isomeric SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C
Molecular Formula C30H50O
Molecular Weight 426.7
synonyms ['Lupeol', '545-47-1', 'Fagarasterol', 'Clerodol', 'Monogynol B', 'Fagarsterol', 'Lupenol', 'farganasterol', 'Triterpene lupeol', 'beta-Viscol', 'UNII-O268W13H3O', 'Lup-20(29)-en-3beta-ol', 'CHEBI:6570', '(+)-Lupeol', 'Lup-20(29)-en-3-ol, (3-beta)-', 'HSDB 7687', 'O268W13H3O', 'EINECS 208-889-9', 'NSC 90487', 'NSC-90487', '(3-beta)-Lup-20(29)-en-3-ol', 'LUPEOL, (+)-', 'Lup-20(29)-en-3-beta-ol', '(3beta)-lup-20(29)-en-3-ol', 'Lup-20(29)-en-3-ol', '3beta-HYDROXYLUP-20(29)-ENE', '208-889-9', 'Lup-20(29)-en-3-ol, (3b)-', 'Lup-20(29)-en-3b-ol', '.beta.-Viscol', 'MFCD00017351', '20(29)-Lupen-3beta-ol', 'NSC90487', '(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol', 'Lup-20(29)-en-3-ol, (3.beta.)-', 'Lup-20(29)-en-3.beta.-ol', 'Lupeol (Standard)', 'Lup-20(29)-en-3-ol, (3beta)-', 'LUPEOL [HSDB]', 'LUPEOL [MI]', 'Lupeol, >=94%', 'Lupeol, analytical standard', 'SCHEMBL148518', 'CHEMBL289191', 'HY-N0790R', '3beta-lup-20(29)-en-3-ol', 'DTXSID901025006', 'HY-N0790', 'MSK40145', 'BDBM50377927', 's3614', 'AKOS016008524', 'CCG-268968', 'CS-7563', 'DB12622', 'DS-3391', 'FL16230', 'LMPR0106130001', 'NCGC00168853-06', 'NCGC00168853-07', '1ST40145', 'NCI60_042005', '3.BETA.-HYDROXYLUP-20(29)-ENE', 'LUP-20(29)-EN-3-.BETA.-OL', 'L0321', 'NS00043298', 'C08628', '(3-.BETA.)-LUP-20(29)-EN-3-OL', 'Q409366', 'LUP-20(29)-EN-3-OL, (3-.BETA.)-', '(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol']

From Pubchem