IngredientID 36548

Pqn

C31H46O2

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 12Ingredient: 1Meta-analysis: 11Reference: 1Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 36548
Core Entity Id: 43818
Source Entity Count: 1
Preferred Name: Pqn
Name En
Pubchem Id: 4812
Smiles Canonical: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Molecular Formula: C31H46O2
Molecular Weight: 450.7070
Inchikey: BUFJIHPUGZHTHL-NKFFZRIASA-N
Inchi: InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
Isomeric Smiles: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C
Cas Id: 84-80-0
Ob Score: 47.6036
Mol Logp: 9.1576
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 14
Drug Likeness: 0.2210
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Pqn

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Vitamin K

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Vitamin K1

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Zinc03831331

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

PQN

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Pqn

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Pqn

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Pqn

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Vitamin K

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Vitamin K1

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Vitamin K1

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Vitamin K1

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Vitamin k

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Vitamin k

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Vitamin k1

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Vitamin k1

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

ZINC03831331

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Zinc03831331

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Zinc03831331

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Zinc03831331

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

vitamin k

Role

preferred

Source

TCMBank

Preferred

Yes

Name

醋柳果

Role

TCM_name

Source

TCMBank

Preferred

Name

CU LIU GUO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Seabuckthorn Fruit

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2E,7S,11R)-Vitamin K1

Role

alias

Source

HERB_v2

Preferred

Name

(2E,7S,11R)-Vitamin K1

Role

alias

Source

itcmdb_public

Preferred

Name

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

Role

alias

Source

HERB_v2

Preferred

Name

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

Role

alias

Source

itcmdb_public

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

.alpha.-Phylloquinone

Role

alias

Source

SymMap_v2

Preferred

Name

.alpha.-Phylloquinone

Role

alias

Source

HERB_v2

Preferred

Name

.alpha.-Phylloquinone

Role

alias

Source

itcmdb_public

Preferred

Name

.alpha.-Phylloquinone

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

12001-79-5

Role

alias

Source

HERB_v2

Preferred

Name

12001-79-5

Role

alias

Source

itcmdb_public

Preferred

Name

12001-79-5

Role

alias

Source

TCMBank

Preferred

Name

12001-79-5

Role

alias

Source

SymMap_v2

Preferred

Name

132487-95-7

Role

alias

Source

HERB_v2

Preferred

Name

132487-95-7

Role

alias

Source

itcmdb_public

Preferred

Name

2',3'-trans-Vitamin K1

Role

alias

Source

TCMBank

Preferred

Name

2',3'-trans-Vitamin K1

Role

alias

Source

SymMap_v2

Preferred

Name

2-(3,7,11,15-Tetramethyl-2-hexadecenyl)-3-methyl-1,4-naphthoquinone

Role

alias

Source

TCMBank

Preferred

Name

2-(3,7,11,15-Tetramethyl-2-hexadecenyl)-3-methyl-1,4-naphthoquinone

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone #

Role

alias

Source

SymMap_v2

Preferred

Name

2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone #

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-3-[(2Z)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthoquinone

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-3-[(2Z)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthoquinone

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

HERB_v2

Preferred

Name

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

Role

alias

Source

itcmdb_public

Preferred

Name

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

Role

alias

Source

HERB_v2

Preferred

Name

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

Role

alias

Source

itcmdb_public

Preferred

Name

2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

Role

alias

Source

SymMap_v2

Preferred

Name

2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

HERB_v2

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

itcmdb_public

Preferred

Name

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

Role

alias

Source

HERB_v2

Preferred

Name

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

Role

alias

Source

itcmdb_public

Preferred

Name

2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone

Role

alias

Source

TCMBank

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

27696-10-2

Role

alias

Source

TCMBank

Preferred

Name

27696-10-2

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

SymMap_v2

Preferred

Name

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

Role

alias

Source

TCMBank

Preferred

Name

3-Phytylmenadione

Role

alias

Source

HERB_v2

Preferred

Name

3-Phytylmenadione

Role

alias

Source

itcmdb_public

Preferred

Name

3-Phytylmenadione

Role

alias

Source

TCMBank

Preferred

Name

3-Phytylmenadione

Role

alias

Source

SymMap_v2

Preferred

Name

572-96-3

Role

alias

Source

itcmdb_public

Preferred

Name

572-96-3

Role

alias

Source

HERB_v2

Preferred

Name

81818-54-4

Role

alias

Source

SymMap_v2

Preferred

Name

81818-54-4

Role

alias

Source

TCMBank

Preferred

Name

81818-54-4

Role

alias

Source

itcmdb_public

Preferred

Name

81818-54-4

Role

alias

Source

HERB_v2

Preferred

Name

84-80-0

Role

alias

Source

HERB_v2

Preferred

Name

84-80-0

Role

alias

Source

itcmdb_public

Preferred

Name

AC1NQX34

Role

alias

Source

SymMap_v2

Preferred

Name

AC1NQX34

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6B3J

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6B3J

Role

alias

Source

SymMap_v2

Preferred

Name

AK568803

Role

alias

Source

SymMap_v2

Preferred

Name

AK568803

Role

alias

Source

TCMBank

Preferred

Name

AKOS015907040

Role

alias

Source

itcmdb_public

Preferred

Name

AKOS015907040

Role

alias

Source

HERB_v2

Preferred

Name

AKOS024284357

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS024284357

Role

alias

Source

TCMBank

Preferred

Name

Antihemorrhagic vitamin

Role

alias

Source

TCMBank

Preferred

Name

Antihemorrhagic vitamin

Role

alias

Source

SymMap_v2

Preferred

Name

Aqua mephyton

Role

alias

Source

SymMap_v2

Preferred

Name

Aqua-Mephytin

Role

alias

Source

SymMap_v2

Preferred

Name

Aqua-Mephytin

Role

alias

Source

TCMBank

Preferred

Name

Aquamephyton

Role

alias

Source

itcmdb_public

Preferred

Name

Aquamephyton

Role

alias

Source

HERB_v2

Preferred

Name

Aquamephyton

Role

alias

Source

TCMBank

Preferred

Name

C02059

Role

alias

Source

SymMap_v2

Preferred

Name

C02059

Role

alias

Source

TCMBank

Preferred

Name

C31H46O2

Role

alias

Source

TCMBank

Preferred

Name

C31H46O2

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:94399

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:94399

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL520156

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL520156

Role

alias

Source

TCMBank

Preferred

Name

CPD000059144

Role

alias

Source

SymMap_v2

Preferred

Name

CPD000059144

Role

alias

Source

TCMBank

Preferred

Name

CPD001491672

Role

alias

Source

SymMap_v2

Preferred

Name

CPD001491672

Role

alias

Source

TCMBank

Preferred

Name

Combinal K1

Role

alias

Source

SymMap_v2

Preferred

Name

Combinal K1

Role

alias

Source

TCMBank

Preferred

Name

D00148

Role

alias

Source

SymMap_v2

Preferred

Name

D00148

Role

alias

Source

TCMBank

Preferred

Name

D07QPA

Role

alias

Source

TCMBank

Preferred

Name

D07QPA

Role

alias

Source

SymMap_v2

Preferred

Name

Dihydro Vitamin K1

Role

alias

Source

itcmdb_public

Preferred

Name

Dihydrovitamin K1

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 201-564-2

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-564-2

Role

alias

Source

SymMap_v2

Preferred

Name

EINECS 234-408-7

Role

alias

Source

SymMap_v2

Preferred

Name

EINECS 234-408-7

Role

alias

Source

TCMBank

Preferred

Name

EINECS 279-833-9

Role

alias

Source

SymMap_v2

Preferred

Name

EINECS 279-833-9

Role

alias

Source

TCMBank

Preferred

Name

Fitomenadiona

Role

alias

Source

SymMap_v2

Preferred

Name

Fitomenadiona

Role

alias

Source

TCMBank

Preferred

Name

Fitomenadiona [INN-Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Fitomenadiona [INN-Spanish]

Role

alias

Source

SymMap_v2

Preferred

Name

Fitomenadione

Role

alias

Source

TCMBank

Preferred

Name

Fitomenadione

Role

alias

Source

SymMap_v2

Preferred

Name

Fitomenadione [DCIT]

Role

alias

Source

TCMBank

Preferred

Name

Fitomenadione [DCIT]

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2232C17

Role

alias

Source

TCMBank

Preferred

Name

HMS2232C17

Role

alias

Source

SymMap_v2

Preferred

Name

HSDB 3162

Role

alias

Source

TCMBank

Preferred

Name

HSDB 3162

Role

alias

Source

SymMap_v2

Preferred

Name

K-Ject

Role

alias

Source

SymMap_v2

Preferred

Name

K-Ject

Role

alias

Source

TCMBank

Preferred

Name

Kativ N

Role

alias

Source

TCMBank

Preferred

Name

Kativ N

Role

alias

Source

SymMap_v2

Preferred

Name

Kephton

Role

alias

Source

itcmdb_public

Preferred

Name

Kephton

Role

alias

Source

SymMap_v2

Preferred

Name

Kephton

Role

alias

Source

TCMBank

Preferred

Name

Kephton

Role

alias

Source

HERB_v2

Preferred

Name

Kinadion

Role

alias

Source

TCMBank

Preferred

Name

Kinadion

Role

alias

Source

SymMap_v2

Preferred

Name

Konakion

Role

alias

Source

SymMap_v2

Preferred

Name

Konakion

Role

alias

Source

TCMBank

Preferred

Name

Konakion

Role

alias

Source

HERB_v2

Preferred

Name

Konakion

Role

alias

Source

itcmdb_public

Preferred

Name

LS-94617

Role

alias

Source

TCMBank

Preferred

Name

LS-94617

Role

alias

Source

SymMap_v2

Preferred

Name

MBWXNTAXLNYFJB-LKUDQCMESA-N

Role

alias

Source

SymMap_v2

Preferred

Name

MBWXNTAXLNYFJB-LKUDQCMESA-N

Role

alias

Source

TCMBank

Preferred

Name

MLS001332659

Role

alias

Source

SymMap_v2

Preferred

Name

MLS001332659

Role

alias

Source

TCMBank

Preferred

Name

MLS001332660

Role

alias

Source

SymMap_v2

Preferred

Name

MLS001332660

Role

alias

Source

TCMBank

Preferred

Name

Mephyton

Role

alias

Source

SymMap_v2

Preferred

Name

Mephyton

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-785-978

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-001-785-978

Role

alias

Source

TCMBank

Preferred

Name

Mono-Kay

Role

alias

Source

SymMap_v2

Preferred

Name

Mono-Kay

Role

alias

Source

TCMBank

Preferred

Name

Monodion

Role

alias

Source

SymMap_v2

Preferred

Name

Monodion

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159423-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159423-02

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00186656-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00186656-01

Role

alias

Source

SymMap_v2

Preferred

Name

NSC 270681

Role

alias

Source

SymMap_v2

Preferred

Name

NSC270681

Role

alias

Source

TCMBank

Preferred

Name

O8GP21P496

Role

alias

Source

HERB_v2

Preferred

Name

O8GP21P496

Role

alias

Source

itcmdb_public

Preferred

Name

P0642

Role

alias

Source

TCMBank

Preferred

Name

P0642

Role

alias

Source

SymMap_v2

Preferred

Name

Phyllochinon

Role

alias

Source

HERB_v2

Preferred

Name

Phyllochinon

Role

alias

Source

itcmdb_public

Preferred

Name

Phyllochinon [German]

Role

alias

Source

SymMap_v2

Preferred

Name

Phyllochinon [German]

Role

alias

Source

TCMBank

Preferred

Name

Phyllochinonum

Role

alias

Source

SymMap_v2

Preferred

Name

Phyllochinonum

Role

alias

Source

TCMBank

Preferred

Name

Phylloquinol

Role

alias

Source

HERB_v2

Preferred

Name

Phylloquinol

Role

alias

Source

itcmdb_public

Preferred

Name

Phylloquinone

Role

alias

Source

HERB_v2

Preferred

Name

Phylloquinone

Role

alias

Source

TCMBank

Preferred

Name

Phylloquinone

Role

alias

Source

itcmdb_public

Preferred

Name

Phylloquinone

Role

alias

Source

SymMap_v2

Preferred

Name

Phythyl-menadion

Role

alias

Source

SymMap_v2

Preferred

Name

Phythyl-menadion

Role

alias

Source

TCMBank

Preferred

Name

Phytomenadione

Role

alias

Source

HERB_v2

Preferred

Name

Phytomenadione

Role

alias

Source

TCMBank

Preferred

Name

Phytomenadione

Role

alias

Source

SymMap_v2

Preferred

Name

Phytomenadione

Role

alias

Source

itcmdb_public

Preferred

Name

Phytomenadionum

Role

alias

Source

TCMBank

Preferred

Name

Phytomenadionum

Role

alias

Source

SymMap_v2

Preferred

Name

Phytomenadionum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

Phytomenadionum [INN-Latin]

Role

alias

Source

SymMap_v2

Preferred

Name

Phytonadiol

Role

alias

Source

HERB_v2

Preferred

Name

Phytonadiol

Role

alias

Source

itcmdb_public

Preferred

Name

Phytonadione (JP17/USP)

Role

alias

Source

TCMBank

Preferred

Name

Phytonadione (JP17/USP)

Role

alias

Source

SymMap_v2

Preferred

Name

Phytonadionum

Role

alias

Source

SymMap_v2

Preferred

Name

Phytonadionum

Role

alias

Source

TCMBank

Preferred

Name

Phytylmenadione

Role

alias

Source

HERB_v2

Preferred

Name

Phytylmenadione

Role

alias

Source

itcmdb_public

Preferred

Name

SAM002564257

Role

alias

Source

SymMap_v2

Preferred

Name

SAM002564257

Role

alias

Source

TCMBank

Preferred

Name

SAM002643512

Role

alias

Source

TCMBank

Preferred

Name

SAM002643512

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000059144

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000059144

Role

alias

Source

TCMBank

Preferred

Name

ST075162

Role

alias

Source

TCMBank

Preferred

Name

ST075162

Role

alias

Source

SymMap_v2

Preferred

Name

Synthex P

Role

alias

Source

SymMap_v2

Preferred

Name

Synthex P

Role

alias

Source

TCMBank

Preferred

Name

VITAMIN K

Role

alias

Source

TCMBank

Preferred

Name

VITAMIN K

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K (generic)

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K (generic)

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K 1

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K 1

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K hydroquinone

Role

alias

Source

HERB_v2

Preferred

Name

Vitamin K hydroquinone

Role

alias

Source

itcmdb_public

Preferred

Name

Vitamin K semiquinone radical

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K semiquinone radical

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K1 (Phytonadione)

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K1 (Phytonadione)

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K1 (VAN)

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K1 (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K1 1g

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K1 1g

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K1 hydroquinone

Role

alias

Source

itcmdb_public

Preferred

Name

Vitamin K1 hydroquinone

Role

alias

Source

HERB_v2

Preferred

Name

Vitamin K1(20)

Role

alias

Source

HERB_v2

Preferred

Name

Vitamin K1(20)

Role

alias

Source

TCMBank

Preferred

Name

Vitamin K1(20)

Role

alias

Source

SymMap_v2

Preferred

Name

Vitamin K1(20)

Role

alias

Source

itcmdb_public

Preferred

Name

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione

Role

alias

Source

TCMBank

Preferred

Name

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione

Role

alias

Source

SymMap_v2

Preferred

Name

[r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione

Role

alias

Source

SymMap_v2

Preferred

Name

[r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione

Role

alias

Source

TCMBank

Preferred

Name

a-Phylloquinone

Role

alias

Source

SymMap_v2

Preferred

Name

a-Phylloquinone

Role

alias

Source

TCMBank

Preferred

Name

phyllohydroquinone

Role

alias

Source

HERB_v2

Preferred

Name

phyllohydroquinone

Role

alias

Source

itcmdb_public

Preferred

Name

phytonadione

Role

alias

Source

itcmdb_public

Preferred

Name

phytonadione

Role

alias

Source

HERB_v2

Preferred

Name

trans-Phylloquinone

Role

alias

Source

SymMap_v2

Preferred

Name

trans-Phylloquinone

Role

alias

Source

TCMBank

Preferred

Name

trans-Vitamin K1 diastereomer 1

Role

alias

Source

HERB_v2

Preferred

Name

trans-Vitamin K1 diastereomer 1

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

Vitamin KVitamin K1Zinc03831331醋柳果CU LIU GUOSeabuckthorn Fruit(2E,7S,11R)-Vitamin K1(E)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione.alpha.-Phylloquinone1, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-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-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, radical ion(1-), (R-(R*,R*-(E)))-1,4-Naphthoquinone, 2-methyl-3-phytyl-12001-79-5132487-95-72',3'-trans-Vitamin K12-(3,7,11,15-Tetramethyl-2-hexadecenyl)-3-methyl-1,4-naphthoquinone2-Methyl-3-(3,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone #2-Methyl-3-[(2Z)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthoquinone2-Methyl-3-phythyl-1,4-naphthochinon2-Methyl-3-phytyl-1,4-naphthochinon2-Methyl-3-phytyl-1,4-naphthochinon [German]2-Methyl-3-phytyl-1,4-naphthoquinone2-Methyl-3-phytyl-1,4-napthoquinone2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione27696-10-23-((2E)-3,7,11,15-tetramethylhexadec-2-enyl)-2-methylnaphthalene-1,4-dione3-Phytylmenadione572-96-381818-54-484-80-0AC1NQX34AC1Q6B3JAK568803AKOS015907040AKOS024284357Antihemorrhagic vitaminAqua mephytonAqua-MephytinAquamephytonC02059C31H46O2CHEBI:94399CHEMBL520156CPD000059144CPD001491672Combinal K1D00148D07QPADihydro Vitamin K1Dihydrovitamin K1EINECS 201-564-2EINECS 234-408-7EINECS 279-833-9FitomenadionaFitomenadiona [INN-Spanish]FitomenadioneFitomenadione [DCIT]HMS2232C17HSDB 3162K-JectKativ NKephtonKinadionKonakionLS-94617MBWXNTAXLNYFJB-LKUDQCMESA-NMLS001332659MLS001332660MephytonMolPort-001-785-978Mono-KayMonodionNCGC00159423-02NCGC00186656-01NSC 270681NSC270681O8GP21P496P0642PhyllochinonPhyllochinon [German]PhyllochinonumPhylloquinolPhylloquinonePhythyl-menadionPhytomenadionePhytomenadionumPhytomenadionum [INN-Latin]PhytonadiolPhytonadione (JP17/USP)PhytonadionumPhytylmenadioneSAM002564257SAM002643512SMR000059144ST075162Synthex PVitamin K (generic)Vitamin K 1Vitamin K hydroquinoneVitamin K semiquinone radicalVitamin K1 (Phytonadione)Vitamin K1 (VAN)Vitamin K1 1gVitamin K1 hydroquinoneVitamin K1(20)[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione[r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedionea-Phylloquinonephyllohydroquinonephytonadionetrans-Phylloquinonetrans-Vitamin K1 diastereomer 1

Cross References

Trusted external identifiers retained for this final record.

Cas

12001-79-584-80-0

Herb

HBIN040631HBIN048067HBIN048068HBIN048963

Npass

NPC106653NPC1682NPC188844

Tcmid

2254623288

Tcmsp

MOL007348MOL010283

Sym Map

SMIT08802SMIT11342SMIT18325SMIT27419

Tcm Id

242649858

Pub Chem

48125280483528058552846077048755

Tcmbank

TCMBANKIN000765TCMBANKIN002262TCMBANKIN057567TCMBANKIN059692

Drug Bank

DB01022

Etcm Ingredient

Vitamin K1

Itcmdb Generated

ITX-INGREDIENT-05A6C837DEF6ITX-INGREDIENT-779083C2CB04ITX-INGREDIENT-B2B68F763B87

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24+/m1/s1InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

Mol Wt

450.7070000000003452.7230000000003

Cas Id

84-80-0

Smiles

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)Cc1([H])c([H])c(C(=O)C(C([H])([H])[H])=C(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H ])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C2=O)c2c([H])c1[H]

Mol Log P

9.15769.487319999999995

Version

v1,v2v2

In Ch Ikey

BUFJIHPUGZHTHL-NKFFZRIASA-NMBWXNTAXLNYFJB-KSVLJPARSA-NMBWXNTAXLNYFJB-LKUDQCMESA-NMBWXNTAXLNYFJB-NKFFZRIASA-N

Ob Score

47.60362247.6036222247.604

Suppress

Tcm Name

醋柳果

Tcm Name2

CU LIU GUO

Mol2 Path

/TCM_database/2003_3d_all/8919.mol2

Reference

2, 658

Num Hdonors

Tcm Name En

Seabuckthorn Fruit

Drug Likeness

0.2210.265

Num Hacceptors

Isomeric Smiles

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)CCC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@@H](C)CCC[C@H](C)CCCC(C)CCC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)CCC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O

Molecule Weight

450.77

Canonical Smiles

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)O)O

Herb Alias Names

Phytonadiol572-96-3phyllohydroquinoneVitamin K1 hydroquinonePhylloquinolDihydrovitamin K1Vitamin K hydroquinoneDihydro Vitamin K12-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diolO8GP21P496

Molecular Weight

450.350

Molecular Weight

450.7 g/mol450.77

Molecular Formula

C31H46O2

Molecular Formula

C31H46O2

Molecular Formula

C31H46O2C31H48O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.895

Quantitative Estimate Of Drug Likeness（Qed）

0.235