4-Deoxyhumulone (BioCAD00000033040)
Metabolite Card
Formula: C21H30O4 (346.2144)
SMILES: CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O
Synonyms [en]
4-Deoxyhumulone; deoxyhumulone; Diprenylphlorisovalerophenone; 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone; 3,5-diprenylphlorisovalerophenone; 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one
Last reviewed on 2024-06-28.
Cite this Page
4-Deoxyhumulone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000033040). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
4-Deoxyhumulone is found in alcoholic beverages. 4-Deoxyhumulone is isolated from hops (Humulus lupulus).
DBLinks
- CAS Registry Number: 4374-93-0
- PubChem CID: 6450808
- ChEBI: 134345
- HMDB: HMDB0036624
- LipidMaps:
- KEGG:
- BioCyc: CPD-7105
- NCBI MeSH:
- Wikipedia:
Other DBLinks
- CAS Registry Number: 4374-93-0
- PubChem: 6450808
- ChEBI: ChEBI:134345
- HMDB: HMDB0036624
- HMDB: HMDB36624
- BioCyc: CPD-7105
- Metlin: METLIN_91678
- Coconut NaturalProduct: CNP0252887.0
Class / Ontology
- WishartLab ClassyFire: [Carbonyl compounds] Carbonyl compounds
- ChEBI: [CHEBI:134345] deoxyhumulone
- Coconut NaturalProduct: [Acyl phloroglucinols] Acyl phloroglucinols
| ID | EC Number | Name |
|---|---|---|
| Rhea:RHEA:51785 | 2.5.1.137 | 4-prenylphlorisovalerophenone + dimethylallyl diphosphate => deoxyhumulone + diphosphate |
| Rhea:RHEA:51786 | 2.5.1.137 | deoxyhumulone + diphosphate => 4-prenylphlorisovalerophenone + dimethylallyl diphosphate |
| Rhea:RHEA:51787 | 2.5.1.137 | 4-prenylphlorisovalerophenone + dimethylallyl diphosphate <=> deoxyhumulone + diphosphate |
| Rhea:RHEA:51805 | 2.5.1.137 | deoxyhumulone + dimethylallyl diphosphate => lupulone + diphosphate + H+ |
| Rhea:RHEA:51806 | 2.5.1.137 | lupulone + diphosphate + H+ => deoxyhumulone + dimethylallyl diphosphate |
| Rhea:RHEA:51807 | 2.5.1.137 | deoxyhumulone + dimethylallyl diphosphate <=> lupulone + diphosphate + H+ |
| BioCyc:RXN-7810 | 2.5.1.137 | CPD-4211 + CPD-7109 --> PPI + CPD-7105 |
| BioCyc:RXN-13549 | CPD-7105 + GERANYL-PP + CPD-4211 + PROTON --> CPD-14533 + 2 PPI | |
| BioCyc:RXN-7807 | 1.14.99.- | CPD-7105 + OXYGEN-MOLECULE + Donor-H2 --> CPD-7106 + WATER + Acceptor |
| BioCyc:RXN-18441 | 2.5.1.137 | CPD-4211 + CPD-7105 --> PPI + CPD-7110 |
Taxonomy Source
- Alkanna cappadocica [ncbi taxid: 2650392]
- Artemisia dentata [ncbi taxid: ]
- Atalantia racemosa [ncbi taxid: 159026]
- Buddleja cordata [ncbi taxid: 168492]
- Buphane fischeri [ncbi taxid: ]
- Citrullus lanatus [ncbi taxid: 3654]
- Crambe tatarica [ncbi taxid: 71346]
- Diospyros eriantha [ncbi taxid: 1009467]
- Fritillaria ningguoensis [ncbi taxid: ]
- Hoffmannia strigillosa [ncbi taxid: ]
- Humulus lupulus [ncbi taxid: 3486]
- Juniperus rigida var. conferta [ncbi taxid: 13102]
- Lemaireocereus griseus [ncbi taxid: ]
- Millettia erythrocalyx [ncbi taxid: 1679271]
- Mycobacterium leprae [ncbi taxid: 1769]
- Negombata magnifica [ncbi taxid: 344322]
- Ononis vaginalis [ncbi taxid: 798051]
- Prorocentrum micans [ncbi taxid: 2945]
- Pteris semipinnata [ncbi taxid: 265705]
- Rapanea lancifolia [ncbi taxid: ]
- Salvia hispanica [ncbi taxid: 49212]
- Scorzonera pseudodivaricata [ncbi taxid: ]
- Sophora flavescens [ncbi taxid: 49840]
- Syncarpia hillii [ncbi taxid: 271921]
- Xenoacremonium recifei [ncbi taxid: 1036759]
Pathway Synthetic
| pathway id | name |
|---|---|
| PlantCyc:HOP_PWY-5134 | superpathway of bitter acids biosynthesis |
| PlantCyc:HOP_PWY-5132 | lupulone and humulone biosynthesis |