Ophiobolin A is the dominant member of a class of phytotoxic metabolites produced by plant pathogenic fungi. Ophiobolin A acts as an inhibitor of calmodulin action in calcium regulation. In-house testing at Microbial Screening Technologies has shown that Ophiobolin A possesses a broad biological profile with antibacterial, antifungal, antitumor and nematocidal activiites. Ophiobolin A blocks the activation of calmodulin-dependent phosphodiesterase with an IC50 value of 9 μM. Ophiobolin A antagonizes a variety of forms of calmodulin from plants and animals by binding covalently to conserved lysine residues.

Specifications

Sinónimos

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Propiedades del producto

pKa	pKₐ: 13.85 (Predicted)

Nombres e identificadores

Sonrisas canónicas	CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C
IUPAC Name	(1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde
InChIKey	MWYYLZRWWNBROW-BDZRSQQBSA-N
INCHI	1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1
Isómeros SMILES	C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@@H]4[C@H](C3)[C@](CC4=O)(C)O)/C=O)C)C=C(C)C
WGK Alemania	3
RTECS	RL1576000
PubChem CID	5281387
Peso molecular	400.55

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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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
  - Clase Prenol lipids
    - Subclass Sesterterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Prenol lipids
Subclass	Sesterterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Ophiobolane sesterterpenoids
Alternative Parents	Tetrahydrofurans Tertiary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Ophiobolane sesterterpenoid - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Ketone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Aldehyde - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as ophiobolane sesterterpenoids. These are sesterterpnoids with a structure based on the ophiobolane backbone. Ophiobolane is a tricyclic compound consisting of two cyclopentane rings joined by a cyclooctane ring, and carries a methyl group at the 1-, 4-, and 8-position, as well as a 6-methylheptane group at the 12-position.
External Descriptors	Cheilanthane and ophiobolane sesterterpenoids
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

Estructura 3D

Objetivos asociados (humanos)

HT-29 (80576 Activities)

Lot Number	Certificate Type	Fecha	Articulo
C2329345	Certificate of Analysis	Jan 26, 2026	O329258
C2316089	Certificate of Analysis	Jan 07, 2026	O329258
H2508564	Certificate of Analysis	Jul 28, 2025	O329258
C2316060	Certificate of Analysis	Dec 05, 2022	O329258
C2316146	Certificate of Analysis	Dec 05, 2022	O329258

Solubilidad	Soluble in DMSO, DMF, 100% ethanol, and methanol.
Sensibilidad	Light sensitive
Índice de refracción	n20D1.55 (Predicted)
Punto de ebullición (°C)	539.45° C at 760 mmHg (Predicted)
Punto de fusión (°C)	206.52° C (Predicted)
Peso molecular	400.500 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	400.261 Da
Monoisotopic Mass	400.261 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	778.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Ophiobolin A - Moligand™, ≥95% , CAS No.4611-05-6

Why this grade

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Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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