UCSF

ZINC18847036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2008 20 Yes

Popular Name: Formononetin Formononetin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 485-72-3 , [485-72-3]

Other Names:

"Formononetin, 98%"

4'-O-methyldaidzein; 485-72-3; 7-hydroxy-4'-methoxyisoflavone; formononetin

4'-O-methyldaidzein; biochanin B; formononetol

485-72-3; C00858; Formononetin

4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; EINECS 207-623-9; Formononetin; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; LS-39701; NSC 93360

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-one

7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone;7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one;7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI);7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one;7-Hydroxy-4'-methoxy-Isoflavone;7-Hydroxy-4'-methoxy-Isofla

7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

7-Hydroxy-3-(4-methoxyphenyl)chromone

7-HYDROXY-4'-METHOXYISOFLAVANONE

7-Hydroxy-4'-methoxyisoflavone [485-72-3]; (Formononetin, synthetic, 98%)

7-Hydroxy-4'-methoxyisoflavone with HPLC ; (Formonetin with HPLC, 99+%)

7-Hydroxy-4?-methoxyisoflavone

Biochanin B

Biochanin B, Formononetol

BRD-K55567017-001-02-4

CHEBI:5146; CHEBI:18194; CHEBI:14279; CHEBI:24086

Daidzein 4-methyl ether

DNC007648

formononetin (1-)

Formononetin (Formononetol)

formononetin (OK)

Formononetin with HPLC [485-72-3]; (7-Hydroxy-4'-methoxyisoflavone, Biochanin B)

Formononetin [485-72-3]; (7-Hydroxy-4'-methoxyflavone, Biochanin B)

Formononetin [485-72-3]; (7-Hydroxy-4'-methoxyisoflavone)

formononetin(1-)

Formononetin, 98%

Formononetol

Formoononetin

K-080

MFCD00016948

Neochanin

Pratol

ST-8926

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 4.79 -11.77 1 4 0 60 268.268 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Constit. of red and subterranean clovers ( Trifolium pratense and Trifolium subterraneum ) and of Chana ( Cicer arietinum ). Constit. of the heartwood of Pterocarpus indicu ZereneX Building Blocks
Mp [°C] 256 - 260 Acros Organics
M.P. 257-259 C Indofine
MP 257-259o C Indofine
M.P 261.4C Indofine
Purity 95% Fluorochem
APPEARANCE Cream colored powder Indofine
Patent Database Links EP1046396; EP1166643; EP1174144; EP1767215; EP1842541; EP1908463; US2005096381; US2007179099; US2007190187 ChEBI
mechanism Estrogen IBScreen Bioactives
H phrase H315: Causes skin irritation Acros Organics
UniProt Database Links I4OMT_GLYEC; I4OMT_LOTJA; I4OMT_MEDTR; I7GT1_SOYBN; M3OM1_PEA; M3OM2_PEA; SOMT2_SOYBN; UBGAT_SCUBA; UGFGT_MEDTR ChEBI
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
Therapy phytoestrogen SMDC MicroSource
Target Probable E3 ubiquitin-protein ligase HERC5(Q9UII4)&Transcription factor E2F1(Q01094)&Interstitial collagenase(P03956)&Apoptosis regulator Bcl-2(P10415)&Caspase-3(P42574)&Stromelysin-1(P08254)&Nuclear factor erythroid 2-related factor 2(Q16236)&Heme oxygen Herbal Ingredients Targets
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
biological_use Shows estrogenic props. IBScreen Bioactives
SOLUBILITY Soluble in ; Toluene:Ethyl formiate:Formic acid(5:4:1) Indofine
SOLUBILITY Soluble in DMF Indofine
APPEARANCE White powder Indofine
Hazard XI: Irritant Acros Organics

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