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Cat. No.: HY-N21743

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Kalmanol

Kalmanol is a kalmane-type diterpenoid found in Rhododendri Mollis Flos and the leaves of Schinus terebinthifolius. Kalmanol is a state-dependent inhibitor of NaV_1.4 channels, and upon binding to inactivated channels, it shifts the fast inactivation curve toward hyperpolarized potentials. Kalmanol exhibits analgesic activity and is used in pain-related research.

For research use only. We do not sell to patients.

CAS No.: 118997-92-5
Formula: C₂₀H₃₄O₆
Molecular Weight:370.48

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Kalmanol Chemical Structure

CAS No.: 118997-92-5

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
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Biological Activity

Description

IC₅₀ & Target

^[1]

hNa_v1.4

All Sodium Channel Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	IC50	199.3 μM	Inhibitory effect on human voltage-gated sodium channel NaV1.4 in resting state expressed in CHO cells measured by electrophysiological recordings. Inhibitory effect on human voltage-gated sodium channel NaV1.4 in resting state expressed in CHO cells measured by electrophysiological recordings.	39082673
CHO	IC50	19.6 μM	Inhibitory effect on human voltage-gated sodium channel NaV1.4 in half-inactivated state expressed in CHO cells measured by electrophysiological recordings. Inhibitory effect on human voltage-gated sodium channel NaV1.4 in half-inactivated state expressed in CHO cells measured by electrophysiological recordings.	39082673

In Vitro

Kalmanol is one of the seven key toxic components of Rhododendron molle; network toxicology analysis suggests that it acts on a total of 12 target proteins, including AR, ALB, ESR2, SHBG, HSD17B11, ESR1, RXRG, LDHC, AKR1C3, ABCB1, UGT2B7, and GLUL^[1].
Kalmanol (compound 5) (0.025 mmol; 10 h) undergoes chemical transformation under acid-promoted conditions using PPTS in t-BuOH to yield Seco-rhodomollone, Rhodomollein XXIV, and Rhodomollein XXIII^[2].
Kalmanol is a state-dependent inhibitor of human Na_V1.4 channels expressed in CHO cells, with IC₅₀ values of 199.3 μM and 19.6 μM for the resting and half-inactivated states, respectively; it shifts the voltage dependence of fast inactivation of Na_V1.4 by approximately 17 mV toward hyperpolarized potentials^[4].
Kalmanol exhibits strong binding affinity with Saccharomyces cerevisiae α-glucosidase (MAL32), inducible nitric oxide synthase (iNOS), and antioxidant pathway-related proteins 2CDU and 3RP8 in molecular docking simulations^[5].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Kalmanol (compound 8) (0.04-1 mg/kg) exhibits potent analgesic activity, with a writhing inhibition rate of 54.7% at a dose as low as 0.04 mg/kg^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS No. 118997-92-5
Molecular Weight 370.48
Formula C₂₀H₃₄O₆
SMILES

O[C@@]12[C@@]3([H])[C@](CC[C@@]3([H])[C@](O)(C2)C)([H])[C@@](O)([C@@]4([H])[C@]([C@@H](C1)O)(C(C)([C@H](C4)O)C)O)C
Structure Classification
- Terpenoids
- Diterpenoids
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Guo XH, et al. [Toxicity mechanism of Rhododendri Mollis Flos: based on serum metabolomics and network toxicology]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2022 Apr;47(7):1932-1941.

[2]. Tsuruyama T, et al. Bioinspired Chemical Transformations of Grayanotoxin III to Kalmanol, -Rhodomollone, and Rhodomolleins XXIII and XXIV. Journal of natural products. 2026 Jan 23;89(1):161-169.

[3]. Feng Y, et al. Discovery of kalmane diterpenoids as potent analgesics from the flowers of Rhododendron dauricum. Chinese Journal of Chemistry. 2022 May 1;40(9):1019-27.

[4]. Ma T, et al. Total Synthesis of (+)-Kalmanol. Angewandte Chemie (International ed. in English). 2024 Oct 14;63(42):e202407215.

[5]. Nguyen VK, et al. Free and bound phenolic extracts of Schinus terebinthifolius leaves: phytochemical profiling and in vitro–in silico bioactivity investigations. Natural Product Research. 2026 Mar 6:1-6.

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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