| 2D Structure | |
| CID | 72625 |
| IUPAC Name | (6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one |
| InChI | InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m0/s1 |
| InChI Key | VMSLCPKYRPDHLN-NRFANRHFSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.5 |
| synonyms | ['Humulon', '.alpha.-Bitter acid', '.alpha.-Lupulic acid', 'NSC56351', 'KHB4767H3K', 'NSC-56351', 'UNII-KHB4767H3K', 'Humolon', 'CCRIS 7249', '1,4,6-Trihydroxy-1,3-bis(2-isopentenyl)-5-isovaleryl-3,5-cyclohexadien-2-on', '(-)-humulone', 'EINECS 247-725-0', 'NSC 56351', 'HUMULON [MI]', 'CHEMBL463491', 'SCHEMBL6125218', 'SCHEMBL29420849', 'SCHEMBL29420850', 'DTXSID601019084', 'DTXSID901019083', 'AKOS015896738', '3,5,6beta-Trihydroxy-2-isovaleryl-4,6alpha-bis(3-methyl-2-butenyl)-2,4-cyclohexadienon', "2',3'-Dihydro-3'beta,4',6'-trihydroxy-3'alpha,5'-bis(3-methyl-2-butenyl)-2'-oxoisovalerophenon", 'Q28362389', '(6R)-3,5,6-TRIHYDROXY-4,6-BIS(3-METHYL-2-BUTENYL)-2-(3-METHYL-1-OXOBUTYL)-2,4-CYCLOHEXADIEN-1-ONE', '(6R)-3,5,6-Trihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methyl-2-buten-1-yl)-2,4-cyclohexadien-1-one', '(6R)-3,5,6-trihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one', '(6S)-3,5,6-Trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one', '1263285-59-1', '176022-26-7', '2-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-, 6(R)-'] |
From Pubchem