dehydrocostuslactone | Dehydrocostus-Lactone | (3aR, 6aS, 9aS, 9bR)-3, 6, 9-tris(methylidene)octahydroazuleno[4, 5-b]furan-2, 8(3H, 4H)-dione | Acetile Diazo Black R | s3615 | (3aS, 6aR, 9aR, 9bS)-3, 6, 9-trimethylidene-3a, 4, 5, 6a, 7, 8, 9a, 9b-octahydroazuleno[4, 5-b]furan

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Cell proliferation inhibitor, induces cell cycle arrest and apoptosis. Inhibits NO synthase and TNF-α in LPS-activated macrophages. Cytotoxic T lymphocyte inhibitor in vitro (IC 50 = 10 μM). Guaianolide. Immunomodulator and antitumor agent.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles	C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
IUPAC Name	(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
InChIKey	NETSQGRTUNRXEO-XUXIUFHCSA-N
INCHI	1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
Isomeric SMILES	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C
Molecular Weight	230.31
Reaxy-Rn	1287898
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1287898&ln=

Documentation

📋 Safety Data Sheet (SDS)

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Terpene lactones
      - Level5 Sesquiterpene lactones
        Level6 Guaianolides and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Sesquiterpene lactones
Direct Parent	Guaianolides and derivatives
Alternative Parents	Guaianes Gamma butyrolactones Tetrahydrofurans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Gamma butyrolactone - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors	Guaianolide
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 Activities)

Melt Point(°C)	60-61℃
Molecular Weight	230.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	230.131 Da
Monoisotopic Mass	230.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	432.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

1. Xin Shu, Xinxin Zou, Jingxuan Zhang, Xu Fang, Xinyu Wang, Hui Wu, Xuan He, Dujuan Sha. (2025) Dehydrocostus Lactone Inhibits Microglia-Mediated Neuroinflammation by Targeting CYP2A6 to Improve Ischemic Brain Injury. CNS Neuroscience & Therapeutics, 31 (7): (e70502). [PMID:40616345] [10.1111/cns.70502]
2. Siqi Yu, Fudong Wang, Yuan Zhang, Xiaofeng Wang, Hongyu Zhao, Qiang Zheng. (2025) Beneficial effects of dihydrocapsaicin on paraquat-induced acute kidney injury: role of Sox9/Sesn2 axis-mediated autophagy. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:40834759] [10.1016/j.ecoenv.2025.118871]
3. Yuanlong Guo, Pengcheng Liu, Lei Deng, Changwei Lui, Michael North, Gang Hu, Qitian Huang, Zongbao Kent Zhao, Haibo Xie. (2024) Molecularly engineered lignin to polyphenol via organocatalysis as an active sunscreen ingredient. Journal of Bioresources and Bioproducts, [PMID:] [10.1016/j.jobab.2024.03.003]
4. Yao Wang, Junhua Qiu, Chengwei Wang, Ruiyu Yang, Fuyou Guo, Tian Li, Shili Li, Lei Yang, Wei Ding. (2026) Sustainable Strategy of Natural trans-Anethole in Controlling Bacterial Wilt: Virulence Suppression and Beneficial Microbiome Enrichment. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:41568748] [10.1021/acs.jafc.5c13627]

Dehydrocostus lactone - 10mM in DMSO , CAS No.477-43-0

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Literature proof

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Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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