8-Deoxylactucin (BioDeep_00000007336)

Secondary id: BioDeep_00000226802, BioDeep_00000409041

PANOMIX_OTCML-2023 natural product PANOMIX_OTCML-2025

Metabolite Card

(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

Formula: C15H16O4 (260.1049)
Chinese Names: 8-脱氧莴苣素
Spectrum Hits: Top Source Viridiplantae(plant) 45.98%

Reviewed

Last reviewed on 2025-06-26.

Cite this Page

8-Deoxylactucin. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/8-deoxylactucin (retrieved 2025-12-05) (BioDeep RN: BioDeep_00000007336). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Molecular Structure

SMILES: C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(CO)C12
InChI: InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1

3D Structure

Description

Synonyms

9 synonym names

8-Deoxylactucin; 8-Deoxylactucin; (3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione; (3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione; 8-Deoxy-lactucin; AC1L9CF5; Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aS-(3aalpha,9aalpha,9bbeta))-; Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aS,9aS,9bS)-; DEOXYLACTUCIN

Cross Reference

14 cross reference id

ChEBI: CHEBI:2313
KEGG: C09392
PubChem: 442196
PubChem: 3467448
Metlin: METLIN67656
ChEMBL: CHEMBL365239
CAS: 65725-10-2
PMhub: MS000020676
PubChem: 11583
KNApSAcK: C00003247
3DMET: B02926
NIKKAJI: J625.196J
KNApSAcK: 2313
LOTUS: LTS0248665

Classification Terms

Related Pathways

Reactome()

BioCyc()

PlantCyc()

Biological Process

related biological process reactions.

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

71 organism taxonomy source information

357 - Agrobacterium: LTS0248665
359 - Agrobacterium rhizogenes: 10.1016/0031-9422(95)00433-8
28211 - Alphaproteobacteria: LTS0248665
4210 - Asteraceae: LTS0248665
2 - Bacteria: LTS0248665
75954 - Cicerbita: LTS0248665
75960 - Cicerbita muralis: 10.1016/S0031-9422(97)80019-2
75960 - Cicerbita muralis: LTS0248665
13426 - Cichorium: LTS0248665
114280 - Cichorium endivia:
114280 - Cichorium endivia: 10.1016/J.FITOTE.2006.04.009
114280 - Cichorium endivia: 10.1248/CPB.36.2423
114280 - Cichorium endivia: LTS0248665
13427 - Cichorium intybus:
13427 - Cichorium intybus: 10.1016/S0031-9422(00)80838-9
13427 - Cichorium intybus: 10.1016/S0031-9422(00)83015-0
13427 - Cichorium intybus: 10.1016/S0031-9422(01)00072-3
13427 - Cichorium intybus: 10.1021/JF00094A026
13427 - Cichorium intybus: 10.1248/CPB.36.2423
13427 - Cichorium intybus: 10.1515/ZNB-2001-0812
13427 - Cichorium intybus: 10.1515/ZNC-2002-11-1207
13427 - Cichorium intybus: LTS0248665
2759 - Eukaryota: LTS0248665
174462 - Helminthotheca: LTS0248665
174463 - Helminthotheca echioides:
174463 - Helminthotheca echioides: 10.1016/0031-9422(92)80390-Z
174463 - Helminthotheca echioides: 10.1021/NP50026A025
174463 - Helminthotheca echioides: LTS0248665
190259 - Ixeris: LTS0248665
318058 - Ixeris chinensis: 10.1021/NP068015J
318058 - Ixeris chinensis: LTS0248665
4235 - Lactuca: LTS0248665
883014 - Lactuca floridana: 10.1016/0031-9422(95)00478-P
883014 - Lactuca floridana: LTS0248665
75949 - Lactuca quercina:
75949 - Lactuca quercina: 10.1016/J.PHYTOL.2014.06.016
75949 - Lactuca quercina: 10.1016/S0031-9422(96)00820-5
75949 - Lactuca quercina: LTS0248665
75948 - Lactuca saligna:
75948 - Lactuca saligna: 10.1016/S0031-9422(00)90864-1
75948 - Lactuca saligna: 10.1021/JF00049A002
75948 - Lactuca saligna: 10.1055/S-2006-959807
75948 - Lactuca saligna: LTS0248665
75950 - Lactuca sibirica: 10.1016/J.FITOTE.2007.09.002
75950 - Lactuca sibirica: LTS0248665
2977607 - Lactuca triangulata: LTS0248665
75947 - Lactuca virosa:
75947 - Lactuca virosa: 10.1002/PTR.2650060514
75947 - Lactuca virosa: 10.1016/0031-9422(95)00433-8
75947 - Lactuca virosa: 10.1016/S0031-9422(97)80019-2
75947 - Lactuca virosa: 10.1021/JF00049A002
75947 - Lactuca virosa: LTS0248665
58659 - Leontodon: LTS0248665
3398 - Magnoliopsida: LTS0248665
75959 - Mycelis: LTS0248665
122541 - Picris: LTS0248665
1885128 - Picris cyanocarpa: 10.1055/S-2006-962463
1885128 - Picris cyanocarpa: LTS0248665
212690 - Picris hieracioides: 10.1002/CHIN.198851297
212690 - Picris hieracioides: 10.1016/S0031-9422(02)00355-2
212690 - Picris hieracioides: 10.1246/BCSJ.61.2971
212690 - Picris hieracioides: LTS0248665
1385653 - Picris japonica: LTS0248665
82115 - Rhizobiaceae: LTS0248665
379 - Rhizobium: LTS0248665
359 - Rhizobium rhizogenes: LTS0248665
673751 - Scorzoneroides: LTS0248665
212686 - Scorzoneroides autumnalis: 10.1016/S0031-9422(00)80838-9
35493 - Streptophyta: LTS0248665
58023 - Tracheophyta: LTS0248665
33090 - Viridiplantae: LTS0248665

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

Sub-cellular location		Genes
Cytoplasm	8	ANXA5, BCL2, CASP3, CCNB1, MME, NFKB1, PTGS2, RPS6KB2
Peripheral membrane protein	3	ANXA5, CYP1B1, PTGS2
Endoplasmic reticulum membrane	3	BCL2, CYP1B1, PTGS2
Nucleus	4	BCL2, CASP3, CCNB1, NFKB1
cytosol	6	ANXA5, BCL2, CASP3, CCNB1, NFKB1, RPE
dendrite	1	MME
trans-Golgi network	1	MME
centrosome	1	CCNB1
nucleoplasm	4	CASP3, CCNB1, NFKB1, RPS6KB2
Cell membrane	2	MME, TNF
Synapse	1	MME
cell surface	2	MME, TNF
glutamatergic synapse	1	CASP3
neuronal cell body	3	CASP3, MME, TNF
sarcolemma	1	ANXA5
synaptic vesicle	1	MME
Presynapse	1	MME
plasma membrane	3	BCHE, MME, TNF
Membrane	5	ANXA5, BCL2, CCNB1, CYP1B1, MME
axon	1	MME
brush border	1	MME
caveola	1	PTGS2
extracellular exosome	3	ANXA5, MME, RPE
endoplasmic reticulum	2	BCL2, PTGS2
extracellular space	2	BCHE, TNF
mitochondrion	3	BCL2, CYP1B1, NFKB1
protein-containing complex	2	BCL2, PTGS2
intracellular membrane-bounded organelle	1	CYP1B1
Microsome membrane	2	CYP1B1, PTGS2
postsynaptic density	1	CASP3
Secreted	1	BCHE
extracellular region	4	ANXA5, BCHE, NFKB1, TNF
Mitochondrion outer membrane	1	BCL2
Single-pass membrane protein	1	BCL2
mitochondrial outer membrane	1	BCL2
mitochondrial matrix	1	CCNB1
transcription regulator complex	1	NFKB1
Nucleus membrane	1	BCL2
Bcl-2 family protein complex	1	BCL2
nuclear membrane	1	BCL2
external side of plasma membrane	2	ANXA5, TNF
cytoplasmic vesicle	1	MME
Early endosome	1	MME
recycling endosome	1	TNF
Single-pass type II membrane protein	2	MME, TNF
Membrane raft	2	MME, TNF
pore complex	1	BCL2
focal adhesion	2	ANXA5, MME
collagen-containing extracellular matrix	1	ANXA5
Nucleus inner membrane	1	PTGS2
Nucleus outer membrane	1	PTGS2
nuclear inner membrane	1	PTGS2
nuclear outer membrane	1	PTGS2
Zymogen granule membrane	1	ANXA5
neuron projection	1	PTGS2
chromatin	1	NFKB1
phagocytic cup	1	TNF
spindle pole	1	CCNB1
blood microparticle	1	BCHE
myelin sheath	1	BCL2
secretory granule lumen	1	NFKB1
secretory granule membrane	1	MME
endoplasmic reticulum lumen	2	BCHE, PTGS2
specific granule lumen	1	NFKB1
nuclear envelope lumen	1	BCHE
outer kinetochore	1	CCNB1
vesicle membrane	1	ANXA5
death-inducing signaling complex	1	CASP3
[Tumor necrosis factor, soluble form]: Secreted	1	TNF
cyclin B1-CDK1 complex	1	CCNB1
neuron projection terminus	1	MME
endothelial microparticle	1	ANXA5
BAD-BCL-2 complex	1	BCL2
[Nuclear factor NF-kappa-B p105 subunit]: Cytoplasm	1	NFKB1
[Nuclear factor NF-kappa-B p50 subunit]: Nucleus	1	NFKB1
I-kappaB/NF-kappaB complex	1	NFKB1
NF-kappaB p50/p65 complex	1	NFKB1
[C-domain 2]: Secreted	1	TNF
[Tumor necrosis factor, membrane form]: Membrane	1	TNF
[C-domain 1]: Secreted	1	TNF

Literature Reference

Juan Carlos Romero-Benavides, Ana Lucía Ruano, Ronal Silva-Rivas, Paola Castillo-Veintimilla, Sara Vivanco-Jaramillo, Natalia Bailon-Moscoso. Medicinal plants used as anthelmintics: Ethnomedical, pharmacological, and phytochemical studies. European journal of medicinal chemistry. 2017 Mar; 129(?):209-217. doi: 10.1016/j.ejmech.2017.02.005. [PMID: 28231520]