Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L30XKA
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| Ligand Name |
Ferutinine
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| Synonyms |
Ferutinin; Ferutinine; 41743-44-6; Jaeschkeanadiol p-hydroxybenzoate; 4-Oxy-6-(4-oxybezoyloxy)dauc-8,9-en; [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate; Tefestrol; Benzoic acid, 4-hydroxy-, (3R,3aS,4S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester; Benzoic acid, 4-hydroxy-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester, (3R-(3alpha,3abeta,4beta,8aalpha))-; From Ferula tingiatana; 4mg7; CHEMBL465040; Ferutinin, >=98% (HPLC); SCHEMBL12512403; DTXSID20961947; Jaeschkeanadiol p-hydroxy benzoate; 3-Hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate; ZINC2564854; BDBM50539730; NSC606959; NSC-606959; HY-125703; CS-0093377; Q27452770
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| Structure |
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Download2D MOL |
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| Formula |
C22H30O4
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| Canonical SMILES |
CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)C
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| InChI |
1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
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| InChIKey |
CYSHNJQMYORNJI-YUVXSKOASA-N
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| PubChem Compound ID | ||||
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