Menaquinone 7

Details

• Internal ID: 6fb35673-05e2-4d02-b156-748c075b5e79
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids
• IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methylnaphthalene-1,4-dione
• InChI: InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
• InChI Key: RAKQPZMEYJZGPI-LJWNYQGCSA-N
• Popularity: 1,147 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₆H₆₄O₂
• Molecular Weight: 649.00 g/mol
• Exact Mass: 648.49063128 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 14.50
• Atomic LogP (AlogP): 14.10
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Rotatable Bonds: 20

Synonyms

• Menaquinone 7
• 2124-57-4
• Vitamin K2(35)
• Menaquinone K7
• Vitamin MK 7
• Menakinon 7
• MK-7
• 8427BML8NY
• 1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-, (all-E)-
• 2-((2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)-3-methylnaphthalene-1,4-dione
• CHEBI:44245
• (all-E)-2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-1,4-naphthalenedione
• 13425-62-2
• 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methylnaphthalene-1,4-dione
• 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-3-methylnaphthalene-1,4-dione
• 2-Methyl-3-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptenyl)-1,4-naphthoquinone
• Mk7
• (all-E)-2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosahept-aenyl)-3-methyl-1,4-naphthoquinone
• Menaquinone 7, Synthetic
• Menaquinone K
• MFCD06200757
• HSDB 1040
• menaquinone(7)
• Menaquinone MK-7
• 2-((2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-3-methylnaphthalene-1,4-dione
• trans-menaquinone 7
• Vitamin MK-7
• Vitamin K2-7
• Vitamin K2-7;Vitamin K2(35);Vitamin MK-7
• UNII-8427BML8NY
• MENAQUINONE 7 [MI]
• MENAQUINONE-7 [DSC]
• Vitamin MK-7Vitamin K2-7
• MENAQUINONE 7 [HSDB]
• MENAQUINONE-7 [INCI]
• SCHEMBL436068
• CHEMBL1230575
• MENAQUINONE-7 [USP-RS]
• MENAQUINONE-7 [WHO-DD]
• DTXSID801317474
• Vitamin K2 Menaquinone-7 (MK-7)
• AKOS027326821
• DB13075
• 1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosahept-aenyl)-3-methyl-, (all-E)-
• 1,4-Naphthoquinone, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosahept-aenyl)-3-methyl-, (all-E)-
• AC-36642
• AS-78195
• HY-112499
• CS-0046153
• J-013950
• Q27120546
• (All-ee)-2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-1,4-naphthalenedione
• 1,4-NAPHTHALENEDIONE, 2-((2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYL-2,6,10,14,18,22,26-OCTACOSAHEPTAENYL)-3-METHYL-
• 1,4-NAPHTHOQUINONE, 2-(3,7,11,15,19,23,27-HEPTAMETHYL-2,6,10,14,18,22,26-OCTACOSAHEPTAENYL)-3-METHYL-, (ALL-E)-
• 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methylnaphthoquinone #

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	1.0000	100.00%
Caco-2	-	0.7842	78.42%
Blood Brain Barrier	+	0.7500	75.00%
Human oral bioavailability	-	0.5000	50.00%
Subcellular localzation	Mitochondria	0.7617	76.17%
OATP2B1 inhibitior	-	0.5683	56.83%
OATP1B1 inhibitior	+	0.9343	93.43%
OATP1B3 inhibitior	+	0.9142	91.42%
MATE1 inhibitior	-	0.9800	98.00%
OCT2 inhibitior	-	0.9250	92.50%
BSEP inhibitior	+	0.9841	98.41%
P-glycoprotein inhibitior	+	0.8276	82.76%
P-glycoprotein substrate	-	0.9342	93.42%
CYP3A4 substrate	-	0.5174	51.74%
CYP2C9 substrate	-	0.7818	78.18%
CYP2D6 substrate	-	0.7911	79.11%
CYP3A4 inhibition	-	0.8309	83.09%
CYP2C9 inhibition	+	0.8949	89.49%
CYP2C19 inhibition	+	0.8994	89.94%
CYP2D6 inhibition	-	0.9231	92.31%
CYP1A2 inhibition	+	0.9107	91.07%
CYP2C8 inhibition	-	0.9402	94.02%
CYP inhibitory promiscuity	+	0.7542	75.42%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.9100	91.00%
Carcinogenicity (trinary)	Non-required	0.6185	61.85%
Eye corrosion	-	0.9893	98.93%
Eye irritation	-	0.9126	91.26%
Skin irritation	-	0.6813	68.13%
Skin corrosion	-	0.9497	94.97%
Ames mutagenesis	-	0.7600	76.00%
Human Ether-a-go-go-Related Gene inhibition	+	0.8725	87.25%
Micronuclear	-	0.9300	93.00%
Hepatotoxicity	-	0.5875	58.75%
skin sensitisation	+	0.6964	69.64%
Respiratory toxicity	+	0.6000	60.00%
Reproductive toxicity	+	0.6667	66.67%
Mitochondrial toxicity	+	0.8375	83.75%
Nephrotoxicity	+	0.5332	53.32%
Acute Oral Toxicity (c)	IV	0.6192	61.92%
Estrogen receptor binding	+	0.7470	74.70%
Androgen receptor binding	+	0.5742	57.42%
Thyroid receptor binding	-	0.5999	59.99%
Glucocorticoid receptor binding	+	0.6992	69.92%
Aromatase binding	-	0.6192	61.92%
PPAR gamma	+	0.6331	63.31%
Honey bee toxicity	-	0.8636	86.36%
Biodegradation	-	0.8250	82.50%
Crustacea aquatic toxicity	-	0.5500	55.00%
Fish aquatic toxicity	+	1.0000	100.00%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.52%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	94.43%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.41%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.59%	91.49%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	90.26%	92.08%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.82%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.48%	99.23%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	85.28%	85.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.43%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	82.19%	90.17%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.97%	82.69%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5287554
• LOTUS: LTS0160352
• wikiData: Q27120546