Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	8.46	-48.23	0	2	-1	40	205.324	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.25	6.48	-10.28	1	2	0	37	206.332	5	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
BP [°C]	160 - 165	Acros Organics
Boiling_Point	160-165?	Alfa-Aesar
Boiling_Point	160-165°	Alfa-Aesar
ALOGPS_SOLUBILITY	2.24e-01 g/l	DrugBank-nutriceuticals
Melting_Point	59-63?	Alfa-Aesar
Melting_Point	59-63°	Alfa-Aesar
Mp [°C]	60 - 63	Acros Organics
MP	60...63	Enamine Building Blocks
MP	60°	Oakwood Chemical
MP	62	TCI
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	95+%	Matrix Scientific
Indications	antioxidant	KeyOrganics Bioactives
Target	Brain-derived neurotrophic factor(P23560)&Glucocorticoid receptor(P04150)&Transforming growth factor beta-1(P01137)&Collagen alpha-1(III) chain(P02461)&Collagen alpha-1(VII) chain(Q02388)&Interleukin-1 beta(P01584)&Interstitial collagenase(P03956)&Metallo	Herbal Ingredients Targets
Patent Database Links	EP1214933; EP1486495; EP1502597; EP1574521; EP1597973; EP1598060; EP1609462; EP1630164; EP1671653; EP1690534; EP1707217; EP1728506; EP1731517; EP1762271; EP1772767; EP1774973; EP1779858; EP1790238; EP1800666; EP1875816; EP1897539; EP1935407; EP1938803; EP	ChEBI
UniProt Database Links	FABF_COXBU; FABF_ECO57; FABF_ECOL6; FABF_ECOLI; FABF_RHIME; FABF_SHIFL; FABF_VIBCH; FABF_VIBHA; GCSH_BACSU; HFA1_YEAS1; HFA1_YEAS2; HFA1_YEAS7; HFA1_YEAS8; HFA1_YEAST; LIAS1_DROYA; LIAS1_PEA; LIAS2_DROYA; LIAS2_PEA; LIAS_AEDAE; LIAS_ARATH; LIAS_BOVIN; LIA	ChEBI
H phrase	H315: Causes skin irritation	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed	Acros Organics
Therapy	hepatoprotectant	SMDC Iconix
Warnings	IRRITANT	Matrix Scientific
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye	Acros Organics
R phrase	R22: Harmful if swallowed.	Acros Organics
R phrase	R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
Reactome Database Links	REACT_22320	ChEBI
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.	Acros Organics
Hazard	XN: Harmful	Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Transport of vitamins, nucleosides, and related molecules	Gallus gallus Bos taurus Canis familiaris Danio rerio Mus musculus Xenopus tropicalis Taeniopygia guttata Rattus norvegicus Sus scrofa Homo sapiens

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (53)
Vendors (54)
Annotations (28)
Representations (2)
Notes (29)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (3)