IngredientID 9609

Actinex

C18H22O4

Relationship Network

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

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Herb: 3Ingredient: 1Reference: 1Target: 12Links: 16

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 9609
Core Entity Id: 13847
Source Entity Count: 1
Preferred Name: Actinex
Name En
Pubchem Id: 4534
Smiles Canonical: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Molecular Formula: C18H22O4
Molecular Weight: 302.3700
Inchikey: HCZKYJDFEPMADG-TXEJJXNPSA-N
Inchi: InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
Isomeric Smiles: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Cas Id: 500-38-9
Ob Score: 1.3395
Mol Logp: 3.5664
Num H Donors: 4
Num H Acceptors: 4
Num Rotatable Bonds: 5
Drug Likeness: 0.6370
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Actinex

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Nordihydroguaiareticacid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Actinex

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Actinex

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Actinex

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Actinex

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Nordihydroguaiaretic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Nordihydroguaiareticacid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Nordihydroguaiareticacid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Nordihydroguaiareticacid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

nordihydroguaiareticacid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

五味子

Role

TCM_name

Source

TCMBank

Preferred

Name

WU WEI ZI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Chinese Magnoliavine

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(R*,S*)-4,4'-(2,3-Dimethylbutane-1,4-diyl)bispyrocatechol

Role

alias

Source

TCMBank

Preferred

Name

1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-

Role

alias

Source

HERB_v2

Preferred

Name

1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-

Role

alias

Source

itcmdb_public

Preferred

Name

1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,S*)-

Role

alias

Source

TCMBank

Preferred

Name

27686-84-6

Role

alias

Source

itcmdb_public

Preferred

Name

27686-84-6

Role

alias

Source

TCMBank

Preferred

Name

27686-84-6

Role

alias

Source

HERB_v2

Preferred

Name

27686-84-6 (MESO)

Role

alias

Source

TCMBank

Preferred

Name

334707-72-1

Role

alias

Source

TCMBank

Preferred

Name

4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol

Role

alias

Source

TCMBank

Preferred

Name

4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol

Role

alias

Source

TCMBank

Preferred

Name

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

Role

alias

Source

HERB_v2

Preferred

Name

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

Role

alias

Source

itcmdb_public

Preferred

Name

500-38-9

Role

alias

Source

TCMBank

Preferred

Name

500-38-9

Role

alias

Source

itcmdb_public

Preferred

Name

500-38-9

Role

alias

Source

HERB_v2

Preferred

Name

AIDS025463

Role

alias

Source

TCMBank

Preferred

Name

Actinex

Role

alias

Source

HERB_v2

Preferred

Name

Actinex

Role

alias

Source

itcmdb_public

Preferred

Name

Actinex (TN)

Role

alias

Source

TCMBank

Preferred

Name

C10719

Role

alias

Source

TCMBank

Preferred

Name

CHX 100

Role

alias

Source

itcmdb_public

Preferred

Name

CHX 100

Role

alias

Source

HERB_v2

Preferred

Name

CHX-100

Role

alias

Source

TCMBank

Preferred

Name

D04862

Role

alias

Source

TCMBank

Preferred

Name

Dihydronorguaiaretic acid

Role

alias

Source

HERB_v2

Preferred

Name

Dihydronorguaiaretic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Dinorguaiaretic acid, dihydro-

Role

alias

Source

HERB_v2

Preferred

Name

Dinorguaiaretic acid, dihydro-

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 248-606-6

Role

alias

Source

TCMBank

Preferred

Name

EU-0100877

Role

alias

Source

TCMBank

Preferred

Name

INSM18

Role

alias

Source

itcmdb_public

Preferred

Name

INSM18

Role

alias

Source

HERB_v2

Preferred

Name

Lopac-N-5023

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_000877

Role

alias

Source

TCMBank

Preferred

Name

Masoprocol

Role

alias

Source

itcmdb_public

Preferred

Name

Masoprocol

Role

alias

Source

HERB_v2

Preferred

Name

Masoprocol

Role

alias

Source

TCMBank

Preferred

Name

Masoprocol (USAN)

Role

alias

Source

TCMBank

Preferred

Name

Masoprocol [USAN:INN]

Role

alias

Source

TCMBank

Preferred

Name

Masoprocolum

Role

alias

Source

HERB_v2

Preferred

Name

Masoprocolum

Role

alias

Source

itcmdb_public

Preferred

Name

Masoprocolum [INN-Latin]

Role

alias

Source

HERB_v2

Preferred

Name

Masoprocolum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

Masoprocolum [INN-Latin]

Role

alias

Source

itcmdb_public

Preferred

Name

NCGC00015741-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015741-02

Role

alias

Source

TCMBank

Preferred

Name

NDGA

Role

alias

Source

TCMBank

Preferred

Name

NDGA

Role

alias

Source

itcmdb_public

Preferred

Name

NDGA

Role

alias

Source

HERB_v2

Preferred

Name

NORDIHYDROGUAIARETIC ACID

Role

alias

Source

itcmdb_public

Preferred

Name

NORDIHYDROGUAIARETIC ACID

Role

alias

Source

HERB_v2

Preferred

Name

Nordihydroguaiaretic acid (meso-form)

Role

alias

Source

TCMBank

Preferred

Name

Nordihyolroguaiaretic acid

Role

alias

Source

TCMBank

Preferred

Name

Norguaiaretic acid, dihydro-

Role

alias

Source

HERB_v2

Preferred

Name

Norguaiaretic acid, dihydro-

Role

alias

Source

itcmdb_public

Preferred

Name

Norhydroguaiaretic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Norhydroguaiaretic acid

Role

alias

Source

HERB_v2

Preferred

Name

TNP00263

Role

alias

Source

TCMBank

Preferred

Name

ZINC00012342

Role

alias

Source

TCMBank

Preferred

Name

ZINC00056473

Role

alias

Source

TCMBank

Preferred

Name

meso-4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol

Role

alias

Source

TCMBank

Preferred

Name

meso-NDGA

Role

alias

Source

itcmdb_public

Preferred

Name

meso-NDGA

Role

alias

Source

TCMBank

Preferred

Name

meso-NDGA

Role

alias

Source

HERB_v2

Preferred

Name

meso-Nordihydroguaiaretic acid

Role

alias

Source

itcmdb_public

Preferred

Name

meso-Nordihydroguaiaretic acid

Role

alias

Source

HERB_v2

Preferred

Name

meso-Nordihydroguaiaretic acid

Role

alias

Source

TCMBank

Preferred

Name

nordihydroguaiaretic acid

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

NordihydroguaiareticacidNordihydroguaiaretic acid五味子WU WEI ZIChinese Magnoliavine(R*,S*)-4,4'-(2,3-Dimethylbutane-1,4-diyl)bispyrocatechol1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,S*)-27686-84-627686-84-6 (MESO)334707-72-14-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol500-38-9AIDS025463Actinex (TN)C10719CHX 100CHX-100D04862Dihydronorguaiaretic acidDinorguaiaretic acid, dihydro-EINECS 248-606-6EU-0100877INSM18Lopac-N-5023Lopac0_000877MasoprocolMasoprocol (USAN)Masoprocol [USAN:INN]MasoprocolumMasoprocolum [INN-Latin]NCGC00015741-01NCGC00015741-02NDGANordihydroguaiaretic acid (meso-form)Nordihyolroguaiaretic acidNorguaiaretic acid, dihydro-Norhydroguaiaretic acidTNP00263ZINC00012342ZINC00056473meso-4,4'-(2,3-Dimethyltetramethylene)dipyrocatecholmeso-NDGAmeso-Nordihydroguaiaretic acid

Cross References

Trusted external identifiers retained for this final record.

Cas

500-38-9

Hit

C0254C0615

Herb

HBIN014634HBIN037324

Npass

NPC228343

Tcmid

15732

Tcmsp

MOL008730

Sym Map

SMIT09965SMIT25745

Tcm Id

1089113359

Pub Chem

453471398

Tcmbank

TCMBANKIN000106TCMBANKIN036191TCMBANKIN040668

Etcm Ingredient

Nordihydroguaiaretic acid

Itcmdb Generated

ITX-INGREDIENT-018FC28FF730ITX-INGREDIENT-4C89C586C9E6ITX-INGREDIENT-AAFCDFD935C6

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+

Mol Wt

302.3699999999999

Cas Id

500-38-9

Smiles

CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

Mol Log P

3.566400000000003

Version

v1,v2v2

In Ch Ikey

HCZKYJDFEPMADG-TXEJJXNPSA-NHCZKYJDFEPMADG-UHFFFAOYSA-N

Ob Score

1.3395471.3395471351.34

Suppress

Tcm Name

五味子

Tcm Name2

WU WEI ZI

Mol2 Path

/TCM_database/2007_3d_all/15741.mol2

Reference

658, 1733

Num Hdonors

Tcm Name En

Chinese Magnoliavine

Drug Likeness

0.637

Num Hacceptors

Isomeric Smiles

CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)OC[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O

Molecule Weight

302.4

Canonical Smiles

CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

Herb Alias Names

Masoprocolmeso-NDGA27686-84-6meso-Nordihydroguaiaretic acidMasoprocolumMasoprocolum [INN-Latin]INSM18CHX 100CHX-100

Molecular Weight

302.150

Molecular Weight

302.36302.4 g/mol

Molecular Formula

C18H22O4

Molecular Formula

C18H22O4

Molecular Formula

C18H22O4

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.425

Quantitative Estimate Of Drug Likeness（Qed）

0.637