EcoDrugPlus


Synonyms	(s)-bakuchiol Bakuchiol Sytenol a UP 256 UP-256
Status
Molecule Category	Free-form
UNII	OT12HJU3AR
EPA CompTox	DTXSID401035664

Synonyms

(s)-bakuchiol

Bakuchiol

Sytenol a

UP 256

UP-256

Status

Molecule Category

Free-form

UNII

OT12HJU3AR

EPA CompTox

DTXSID401035664


InChI Key	LFYJSSARVMHQJB-QIXNEVBVSA-N
Smiles	C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C
InChI	InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

InChI Key

LFYJSSARVMHQJB-QIXNEVBVSA-N

Smiles

C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C

InChI

InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

Property Name	Value
Molecular Formula	C18H24O
Molecular Weight	256.39
AlogP	5.34
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H24O

Molecular Weight

256.39

AlogP

5.34

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

20.23

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	-7.92-13.38

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

-7.92-13.38

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Electrophorus electricus	-	-	-	-
Equus caballus	-	-	-	-	13.38
Mus musculus	-	-	-	-	-100--14
Salmonella enterica subsp. enterica serovar Typhimurium	-	-	-	-	0-92

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Electrophorus electricus

Equus caballus

13.38

Mus musculus

-100--14

Salmonella enterica subsp. enterica serovar Typhimurium

0-92

Resources	Reference
CAS NUMBER	10309-37-2
ChEMBL	CHEMBL262344
DrugBank	DB16102
FDA SRS	OT12HJU3AR
PubChem	5468522
SureChEMBL	SCHEMBL9921172
ZINC	ZINC000001644304

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

BAKUCHIOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References