Details of the Drug

General Information of Drug (ID: DMYSCQU)

Drug Name

Alpha-eudesmol

Synonyms

.alpha.-Eudesmol; 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-.alpha.,.alpha.,4a,8-tetramethyl-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]-; AC1NSVC3; SCHEMBL17962962; FCSRUSQUAVXUKK-ILWWEHDPSA-N; 2-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalenyl)-2-propanol #

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

222.37

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H26O
IUPAC Name: 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Canonical SMILES: CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C
InChI: InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1
InChIKey: FCSRUSQUAVXUKK-VNHYZAJKSA-N

Cross-matching ID

PubChem CID: 92762
ChEBI ID: CHEBI:10278
CAS Number: 473-16-5
TTD ID: D0N1MY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel alpha Cav2.1 (CACNA1A)	TTX4QDJ	CAC1A_HUMAN	Blocker	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Alpha-eudesmol, a P/Q-type Ca(2+) channel blocker, inhibits neurogenic vasodilation and extravasation following electrical stimulation of trigeminal ganglion. Brain Res. 2000 Aug 4;873(1):94-101.