Details of the Drug

General Information of Drug (ID: DMELUG5)

• Drug Name: Crocusatin-K
• Synonyms: Crocusatin K; CHEMBL446756; Crocusatin-K; AC1LD3L5; BDBM50250531

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 184.23
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H16O3
  IUPAC Name: (4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
  Canonical SMILES: CC1=C(C([C@H]([C@@H](C1)O)O)(C)C)C=O
  InChI: InChI=1S/C10H16O3/c1-6-4-8(12)9(13)10(2,3)7(6)5-11/h5,8-9,12-13H,4H2,1-3H3/t8-,9+/m1/s1
  InChIKey: YDOIHIWSLMXTHV-BDAKNGLRSA-N
• Cross-matching ID:
  PubChem CID: 641786
  TTD ID: D04XED

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

References

• [1] Antityrosinase principles and constituents of the petals of Crocus sativus. J Nat Prod. 2004 Mar;67(3):437-40.