| 2D Structure | |
| CID | 163263 |
| Target | AR , CASP3 , CASP7 , CYP19A1 , CYP1A2 , CYP2C19 , CYP2C9 , CYP3A4 , ESR1 , ESR2 , ESRRA , NR1H4 , NR1I2 , PGR , Rorc , SMAD2 , SMAD3 , Thrb , TRHR , TSHR |
| IUPAC Name | (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| InChI | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1 |
| InChI Key | XVULBTBTFGYVRC-HHUCQEJWSA-N |
| Canonical SMILES | CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
| Isomeric SMILES | C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.5 |
| synonyms | ['Sclareol', '515-03-7', 'labd-14-ene-8,13-diol', '(13R)-Labd-14-ene-8,13-diol', 'Sclareol (natural)', 'UNII-B607NP0Q8Y', 'B607NP0Q8Y', 'CHEBI:9053', 'DTXSID0047111', 'EINECS 208-194-0', '(-)-SCLAREOL', 'BRN 2054148', 'Labd-14-ene-8,13-diol, (13R)-', 'DTXCID8027111', 'FEMA NO. 4502', '4-06-00-05554 (Beilstein Handbook Reference)', '(13R)-Labd-14-ene-8alpha,13-diol', 'labd-14-ene-8alpha, 13beta-diol', '(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol', '1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (1theta-(1alpha(theta),2beta,4abeta,8aalpha))-', '1-Naphthalenepropanol, decahydro-alpha-ethenyl-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (1R-(1-alpha(R*),2-beta,4a-beta,8a-alpha))-', '(1R,2R,4aS,8aS)-1-((3R)-3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol', '1-NAPHTHALENEPROPANOL, alpha-ETHENYLDECAHYDRO-2-HYDROXY-alpha,2,5,5,8A-PENTAMETHYL-, (1R-(1alpha(R*),2beta,4Abeta,8Aalpha))-', '208-194-0', '(1R,2R,4aS,8aS)-1-((R)-3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol', 'SCAREOL', '(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol', 'Sclareol (~90%)', '(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol', '(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol labd-14-ene-8,13-diol', '(1R-(1a(R*),2ss,4ass,8aa))-a-Ethylenedecahydro-2-hydroxy-a,2,5,5,8a-pentamethyl-1-naphthalenepropanol; (-)-Sclareol', 'MFCD00869558', 'Sclareol (Standard)', 'Sclareol, 98%', 'Sclareol, analytical standard', 'SCHEMBL873931', 'CHEMBL294740', 'GTPL13431', 'HY-N0128R', '1-NAPHTHALENEPROPANOL, .ALPHA.-ETHENYLDECAHYDRO-2-HYDROXY-.ALPHA.,2,5,5,8A-PENTAMETHYL-, (1R-(1.ALPHA.(R*),2.BETA.,4A.BETA.,8A.ALPHA.))-', 'HY-N0128', 'Tox21_302727', 'Sclareol 1000 microg/mL in Acetone', 'AKOS025310185', 'FS74088', 'LMPR0104030010', '(1R,2R,8aS)-Decahydro-1-(3-hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyl-2-naphthol', 'NCGC00256908-01', '1-Naphthalenepropanol, .alpha.-ethenyldecahydro-2-hydroxy-.alpha.,2,5,5,8a-pentamethyl-, (.alpha.R,1R,2R,4aS,8aS)-', 'AC-34890', 'AS-14857', 'CAS-515-03-7', 'CS-0007834', 'S0916', 'C09183', 'Q63396017', '(1R,2R,4As,8aR)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol', '(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol', '(1R-(1?(R*),2?,4a?,8a?))-?-Ethylenedecahydro-2-hydroxy-?,2,5,5,8a-pentamethyl-1-naphthalenepropanol; (-)-Sclareol', '(1R-(1alpha(R*),2beta,4Abeta,8aalpha))-2-hydroxy-alpha,2,5,5,8a-pentamethyl-alpha-vinyldecahydronaphthalene-1-propan-1-ol', '1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphaR,1R,2R,4aS,8aS)-', '1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphaR,1R,2R,4aS,8aS)-: (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol', 'UK6'] |
From Pubchem