UCSF

ZINC03831332

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 , 81382-12-9 , 84-80-0 , [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-Methyl-3-phythyl-1,4-naphthochinon;3-Phytylmenadione;alpha-Phylloquinone;Antihemorrhagic vitamin;Phyllochinon;Phylloquinone;Phythyl-menadion (GERMAN);Phytomenadione;Phytylmenadione;Vitamin K;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-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione; 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone; 2-Methyl-3-phytyl-1,4-naphthochinon; 3-Phytylmenadione; Phyllochinon; Phyllochinonum; Phytomenadione; Phytonadionum

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-1,4-naphthoquinone; PHYLLOQUINONE; 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-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione

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

BAN

C02059

C31H46O2

CHEBI:11611; CHEBI:45148; CHEBI:14833; CHEBI:26105; CHEBI:8181

CID5280483

Combinal K1

D00148

DAP001275

DB01022

DCF

EINECS 201-564-2

EINECS 234-330-3

EINECS 279-833-9

Fitomenadiona

Fitomenadiona [INN-Spanish]

fitomenadiona; phytomenadionum

Fitomenadione

Fitomenadione [DCIT]

HSDB 3162

INN)

INN); Phytonadione (FDA

JAN

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 (BAN

Phytomenadione (DCF

Phytomenadione (INN)

Phytomenadionum

Phytomenadionum [INN-Latin]

Phytonadione

Phytonadione (FDA

Phytonadione (JP15/USP)

Phytonadione [USAN:JAN]

Phytonadionum

Phytylmenadione

Reduced Vitamin K (phylloquinone)

SMR000059144

ST075162

Synthex P

trans-Phylloquinone

UNII-A034SE7857

USP)

USP); Phytomenadione (BAN

Vitamin K

Vitamin K 1

Vitamin K hydroquinone (phylloquinone)

Vitamin K1 (generic)

Vitamin K1 (TN)

Vitamin K1 (VAN)

Vitamin K1(20)

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) 8.80 19.6 -5.6 0 2 0 34 450.707 14 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.92e-05 g/l DrugBank-approved
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
UniProt Database Links DHNA_ARATH; ICS1_ARATH; ICS2_ARATH; MENA_ARATH; MENB_ARATH; MENE_ARATH; MENG_ARATH; NQO1_CAVPO; NQO1_HUMAN; NQO1_MOUSE; NQO1_PONAB; NQO1_RAT; PHYLO_ARATH; PSAA_ACAM1; PSAA_ACOCL; PSAA_ACUOB; PSAA_ADICA; PSAA_AETCO; PSAA_AETGR; PSAA_AGRST; PSAA_AMBTC; PSAA ChEBI
Patent Database Links US2003013772; US2005085555 ChEBI
Therapy vitamin K1 SMDC Pharmakon

Activity (Go SEA)

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