Okicenone , CAS No.137018-54-3

CAS: 137018-54-3 Cat. No.: O668064 Molecular Weight: 258.269 PubChem CID: 132015
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Synonyms
Okicenone | 4,6,9-Trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one | DTXSID80929664 | 3,4-Dihydro-4,6,9-trihydroxy-8-methyl-1(2H)-anthracenone | BDBM50326011 | AKOS040749061 | 1(2H)-Anthracenone, 3,4-dihydro-4,6,9-trihydroxy-8-methyl- | 4,6,9-Trihydroxy
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
O668064-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
O668064-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Okicenone | 4, 6, 9-Trihydroxy-8-methyl-3, 4-dihydro-2H-anthracen-1-one | DTXSID80929664 | 3, 4-Dihydro-4, 6, 9-trihydroxy-8-methyl-1(2H)-anthracenone | BDBM50326011 | AKOS040749061 | 1(2H)-Anthracenone, 3, 4-dihydro-4, 6, 9-trihydroxy-8-methyl- | 4, 6, 9-Trihydroxy
Storage
Room temperature
Action Type
INHIBITOR
Product Properties
ALogP2.4
Names and Identifiers
Canonical SmilesCC1=CC(=CC2=CC3=C(C(=O)CCC3O)C(=C12)O)O
IUPAC Name4,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
InChIKeyLIETVYHJBSLSSW-UHFFFAOYSA-N
INCHI1S/C15H14O4/c1-7-4-9(16)5-8-6-10-11(17)2-3-12(18)14(10)15(19)13(7)8/h4-6,11,16-17,19H,2-3H2,1H3
Isomeric SMILES CC1=CC(=CC2=CC3=C(C(=O)CCC3O)C(=C12)O)O
PubChem CID 132015
Molecular Weight 258.269

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassAnthracenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAnthracenes
Alternative Parents Naphthols and derivatives  Tetralins  Aryl alkyl ketones  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Secondary alcohols  Polyols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Anthracene - 2-naphthol - 1-naphthol - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ELAVL1 Tchem ELAV-like protein 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight258.269 g/mol
XLogP32.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass258.089 Da
Monoisotopic Mass258.089 Da
Topological Polar Surface Area77.800 Ų
Heavy Atom Count19
Formal Charge0
Complexity369.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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