Olivetol

Details

• Internal ID: a992ca23-fb9b-484c-8b0c-4df3fe25a66c
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 5-pentylbenzene-1,3-diol
• InChI: InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
• InChI Key: IRMPFYJSHJGOPE-UHFFFAOYSA-N
• Popularity: 199 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.24 g/mol
• Exact Mass: 180.115029749 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.60

Synonyms

• 500-66-3
• 5-pentylbenzene-1,3-diol
• 5-Pentylresorcinol
• 3,5-Dihydroxyamylbenzene
• 5-n-Amylresorcinol
• 5-Pentyl-1,3-benzenediol
• 5-n-Pentylresorcinol
• 1,3-Benzenediol, 5-pentyl-
• Resorcinol, 5-pentyl-
• CCRIS 6084
• 1,3-Dihydroxy-5-pentylbenzene
• While Olivetol
• 5-(1-pentyl)resorcinol
• CHEBI:66960
• MFCD00002293
• 65OP0NEZ1P
• DTXSID0025812
• DTXCID205812
• CAS-500-66-3
• EINECS 207-908-8
• UNII-65OP0NEZ1P
• BRN 0908277
• Olivetol (6CI)
• Olivetol, 95%
• 5-n-pentyl resorcinol
• 5-pentyl-benzene-1,3-diol
• SCHEMBL69517
• 3-06-00-04695 (Beilstein Handbook Reference)
• 5-Pentyl-1,3-benzenediol #
• CHEMBL154533
• Resorcinol, 5-pentyl- (8CI)
• AMY15297
• BCP05148
• Tox21_202349
• Tox21_303332
• BDBM50555907
• FD7124
• LMPK15030008
• s5119
• AKOS015843209
• 1,3-Benzenediol, 5-pentyl- (9CI)
• CCG-266434
• CS-W008364
• GS-0903
• HY-W008364
• SMP1_000226
• NCGC00091140-01
• NCGC00091140-02
• NCGC00257098-01
• NCGC00259898-01
• AC-26318
• SY104495
• FT-0600424
• FT-0673271
• 5-n-Pentylresorcinol;5-Pentyl-1,3-benzenediol
• A827958
• J-640255
• J-800254
• Q3881822

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	97.15%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.34%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.35%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.29%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.50%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.82%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.44%	94.73%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.41%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.91%	96.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	80.74%	97.29%
CHEMBL240	Q12809	HERG	80.51%	89.76%

Plants that contains it

• Cannabis sativa
• Primula obconica

Cross-Links

• PubChem: 10377
• LOTUS: LTS0125421
• wikiData: Q3881822