Details of the Drug | DrugMAP

General Information of Drug (ID: DML5KMT)

Drug Name	Q-27137207
Synonyms	LMPR0103890004; 1-Deoxypentalenic acid; 1-deoxypentalenic acid; CHEBI:68832
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			234.33
	Logarithm of the Partition Coefficient (xlogp)			4
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			2
Chemical Identifiers	Formula C15H22O2 IUPAC Name (1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid Canonical SMILES CC1CCC2C13CC(CC3C=C2C(=O)O)(C)C InChI DCFDRCCHOOORSB-DSKWVYQCSA-N InChIKey 1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m1/s1
Cross-matching ID	PubChem CID 10988200 ChEBI ID CHEBI:68832 INTEDE ID DR2675

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 105D7 (cyp105)_{Main DME}	DECV2ME	CYP28_STRAW	Substrate	[1], [2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The metagenome of Caracolus marginella gut microbiome using culture independent approaches and shotgun sequencing. Data Brief. 2017 Nov 22;16:501-505.
2	Hydroxylation of Compactin (ML-236B) by CYP105D7 (SAV_7469) from Streptomyces avermitilis. J Microbiol Biotechnol. 2017 May 28;27(5):956-964.