UCSF

ZINC03831331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 33 No

Popular Name: Vitamin K1 Vitamin K1

Find On: PubMed — Wikipedia — Google

CAS Numbers: 12001-79-5 , 84-80-0

Other Names:

.alpha.-Phylloquinone

1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-

1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-

1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-, radical ion(1-)

1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))-; 1,4-Na

1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-

1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))-

1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, radical ion(1-), (R-(R*,R*-(E)))-

1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-

1,4-Naphthoquinone, 2-methyl-3-phytyl-

1,4-Naphthoquinone, 2-methyl-3-phytyl-; 2-Methyl-3-phythyl-1,4-naphthochinon; 2-Methyl-3-phytyl-1,4-naphthochinon; 2-methyl-3-phytyl-1,4-naphthoquinone; 2-Methyl-3-phytyl-1,4-napthoquinone; 2', 3'-trans-Vitamin K1; 2',3'-trans-Vitamin K1; 3-Phytylmenadion

10485-69-5

11104-38-4

15973-57-6

2', 3'-trans-Vitamin K1

2',3'-trans-Vitamin K1

2',3'-trans-Vitamin K1; 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione; 2-Methyl-3-phythyl-1,4-naphthochinon; 2-Methyl-3-phytyl-1,4-naphthochinon; 2-Methyl-3-phytyl-1,4-naphthoquinone; 2-Methyl-3-phytyl-1,4-napthoquin

2',3'-trans-Vitamin K1;2-Methyl-3-phythyl-1,4-naphthochinon;2-Methyl-3-phytyl-1,4-naphthochinon;2-Methyl-3-phytyl-1,4-naphthoquinone;2-Methyl-3-phytyl-1,4-napthoquinone;2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione;3

2',3'-trans-Vitamin K1;2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione;2-Methyl-3-phythyl-1,4-naphthochinon;2-Methyl-3-phytyl-1,4-naphthochinon;2-Methyl-3-phytyl-1,4-naphthoquinone;2-Methyl-3-phytyl-1,4-napthoquinone;3

2-(3,7,11,15-Tetramethylhexadec-2-enyl)-3-methylnaphthalene-1,4-dione

2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalened- ione

2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione

2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione

2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone

2-Methyl-3-phythyl-1,4-naphthochinon

2-Methyl-3-phytyl-1,4-naphthochinon

2-Methyl-3-phytyl-1,4-naphthochinon [German]

2-Methyl-3-phytyl-1,4-naphthoquinone

2-Methyl-3-phytyl-1,4-naphthoquinone; 84-80-0; C02059; Phylloquinone; Phytonadione; Vitamin K1

2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE

2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE; 2-methyl-3-phytyl-1,4-naphthoquinone; 3-phytylmenadione; 84-80-0; phylloquinone; phytomenadione; phytonadione; vitamin K1

2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

27696-10-2

3-Phytylmenadione

50926-17-5

84-80-0

84-80-0; D00148; Mephyton (TN); Phytomenadione (INN); Phytonadione (JP16/USP); Vitamin K1 (TN)

AC1NQX34

AC1Q6B3J

alpha-Phylloquinone

Antihemorrhagic vitamin

Aqua mephyton

Aqua-Mephytin

Aquamephyton

AR-1E3503

C02059

C31H46O2

CID5280483

Combinal K1

D00148

DAP001275

DB01022

EINECS 201-564-2

EINECS 234-330-3

EINECS 279-833-9

Fitomenadiona

Fitomenadiona [INN-Spanish]

Fitomenadione

Fitomenadione [DCIT]

HSDB 3162

K-Ject

Kativ N

Kephton

Kinadion

Konakion

LS-94617

LT00452032

Mephyton

Mephyton (TN)

MFCD00214063

MLS001332659

MLS001332660

MolPort-001-785-978

Mono-Kay

Monodion

NCGC00159423-02

NSC 270681

NSC270681

P0642

Phyllochinon

Phyllochinon [German]

Phyllochinonum

phyllohydroquinone

Phylloquinone

Phylloquinone (8CI)

Phythyl-menadion

Phythyl-menadion (GERMAN)

Phytomenadione

Phytomenadione (INN)

Phytomenadionum

Phytomenadionum [INN-Latin]

phytonadione

Phytonadione (JP15/USP)

Phytonadione [USAN:JAN]

Phytonadionum

Phytylmenadione

SMR000059144

ST075162

Synthex P

trans-Phylloquinone

UNII-A034SE7857

VITAMIN K

Vitamin K 1

Vitamin K1 (generic)

Vitamin K1 (TN)

Vitamin K1 (VAN)

Vitamin K1(20)

Download: MOL2 SDF SMILES Flexibase

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) 8.80 19.59 -5.58 0 2 0 34 450.707 14 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point ca -20? Alfa-Aesar
Melting_Point ca -20° Alfa-Aesar
Boiling_Point ca 140?/0.001m Alfa-Aesar
Boiling_Point ca 140°/0.001m Alfa-Aesar

Activity (Go SEA)

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