IngredientID 18872

Eupatorin

C18H16O7

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Herb: 12Ingredient: 1Target: 12Links: 24

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 18872
Core Entity Id: 24155
Source Entity Count: 1
Preferred Name: Eupatorin
Name En
Pubchem Id: 97214
Smiles Canonical: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Molecular Formula: C18H16O7
Molecular Weight: 344.3190
Inchikey: KLAOKWJLUQKWIF-UHFFFAOYSA-N
Inchi: InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
Isomeric Smiles: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Cas Id
Ob Score: 30.2322
Mol Logp: 2.8970
Num H Donors: 2
Num H Acceptors: 7
Num Rotatable Bonds: 4
Drug Likeness: 0.7510
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Eupatorin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Eupatorin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Eupatorin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

eupatorin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3 inverted exclamation marka,5-Dihydroxy-4 inverted exclamation marka,6,7-trimethoxyflavone

Role

alias

Source

TCMBank

Preferred

Name

3'',5-dihydroxy-4'',6,7-trimethoxy flavone

Role

alias

Source

TCMBank

Preferred

Name

3',5-Dihydroxy-4',6,7-trimethoxyflavone

Role

alias

Source

HERB_v2

Preferred

Name

3',5-Dihydroxy-4',6,7-trimethoxyflavone

Role

alias

Source

itcmdb_public

Preferred

Name

3',6,7-trimethoxyflavone

Role

alias

Source

TCMBank

Preferred

Name

3J474AV6MY

Role

alias

Source

TCMBank

Preferred

Name

4CN-1494

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one,7-dimethoxy-

Role

alias

Source

TCMBank

Preferred

Name

5,3'-Dihydroxy-6,7,4'-trimethoxyflavone

Role

alias

Source

HERB_v2

Preferred

Name

5,3'-Dihydroxy-6,7,4'-trimethoxyflavone

Role

alias

Source

TCMBank

Preferred

Name

5,3'-Dihydroxy-6,7,4'-trimethoxyflavone

Role

alias

Source

itcmdb_public

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone

Role

alias

Source

TCMBank

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4h-chromen-4-on

Role

alias

Source

TCMBank

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

6-Methoxyluteolin 4 inverted exclamation marka,7-dimethyl ether

Role

alias

Source

TCMBank

Preferred

Name

6-methoxyluteolin-4'',7-dimethyl ether

Role

alias

Source

TCMBank

Preferred

Name

855-96-9

Role

alias

Source

itcmdb_public

Preferred

Name

855-96-9

Role

alias

Source

HERB_v2

Preferred

Name

855-96-9

Role

alias

Source

TCMBank

Preferred

Name

A1-01414

Role

alias

Source

TCMBank

Preferred

Name

AC1L3Y1I

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6AIH

Role

alias

Source

TCMBank

Preferred

Name

ACon1_001351

Role

alias

Source

TCMBank

Preferred

Name

AJ-08019

Role

alias

Source

TCMBank

Preferred

Name

AK112334

Role

alias

Source

TCMBank

Preferred

Name

AKOS015856247

Role

alias

Source

TCMBank

Preferred

Name

AX8082670

Role

alias

Source

TCMBank

Preferred

Name

BDBM50344054

Role

alias

Source

TCMBank

Preferred

Name

C-57546

Role

alias

Source

TCMBank

Preferred

Name

CCG-38698

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:136666

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL487402

Role

alias

Source

TCMBank

Preferred

Name

CTK8D4716

Role

alias

Source

TCMBank

Preferred

Name

DTXSID20234704

Role

alias

Source

TCMBank

Preferred

Name

DivK1c_007019

Role

alias

Source

TCMBank

Preferred

Name

EUPATORIN

Role

alias

Source

TCMBank

Preferred

Name

Eupatorin, >=97% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

Eupatorin, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

Eupatorine

Role

alias

Source

TCMBank

Preferred

Name

Eupatorine

Role

alias

Source

itcmdb_public

Preferred

Name

Eupatorine

Role

alias

Source

HERB_v2

Preferred

Name

FT-0614615

Role

alias

Source

TCMBank

Preferred

Name

Flavone, 3',5-dihydroxy-4',6,7-trimethoxy-

Role

alias

Source

TCMBank

Preferred

Name

Flavone, 3',5-dihydroxy-4',6,7-trimethoxy- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Flavone,5-dihydroxy-4',6,7-trimethoxy-

Role

alias

Source

TCMBank

Preferred

Name

HMS3262O20

Role

alias

Source

TCMBank

Preferred

Name

I14-111109

Role

alias

Source

TCMBank

Preferred

Name

KBio1_001963

Role

alias

Source

TCMBank

Preferred

Name

KBio2_001517

Role

alias

Source

TCMBank

Preferred

Name

KBio2_004085

Role

alias

Source

TCMBank

Preferred

Name

KBio2_006653

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_002532

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_001517

Role

alias

Source

TCMBank

Preferred

Name

KLAOKWJLUQKWIF-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

Kinome_3214

Role

alias

Source

TCMBank

Preferred

Name

LMPK12111239

Role

alias

Source

TCMBank

Preferred

Name

MCULE-7438854859

Role

alias

Source

TCMBank

Preferred

Name

MFCD00016929

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-742-461

Role

alias

Source

TCMBank

Preferred

Name

NCGC00180598-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00261484-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 106402

Role

alias

Source

TCMBank

Preferred

Name

NSC 106402

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 106402

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL555597

Role

alias

Source

TCMBank

Preferred

Name

SPBio_000532

Role

alias

Source

TCMBank

Preferred

Name

ST24044768

Role

alias

Source

TCMBank

Preferred

Name

ST50331588

Role

alias

Source

TCMBank

Preferred

Name

ST5331588

Role

alias

Source

TCMBank

Preferred

Name

SpecPlus_000923

Role

alias

Source

TCMBank

Preferred

Name

Spectrum2_000456

Role

alias

Source

TCMBank

Preferred

Name

Spectrum4_001833

Role

alias

Source

TCMBank

Preferred

Name

Spectrum5_000625

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_001037

Role

alias

Source

TCMBank

Preferred

Name

TR-026736

Role

alias

Source

TCMBank

Preferred

Name

Tox21_500799

Role

alias

Source

TCMBank

Preferred

Name

UNII-3J474AV6MY

Role

alias

Source

HERB_v2

Preferred

Name

UNII-3J474AV6MY

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-3J474AV6MY

Role

alias

Source

TCMBank

Preferred

Name

W1625

Role

alias

Source

TCMBank

Preferred

Name

ZB000328

Role

alias

Source

TCMBank

Preferred

Name

ZINC00001412

Role

alias

Source

TCMBank

Preferred

Name

ZINC1412

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

3 inverted exclamation marka,5-Dihydroxy-4 inverted exclamation marka,6,7-trimethoxyflavone3'',5-dihydroxy-4'',6,7-trimethoxy flavone3',5-Dihydroxy-4',6,7-trimethoxyflavone3',6,7-trimethoxyflavone3J474AV6MY4CN-14944H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy- (9CI)4H-1-Benzopyran-4-one,7-dimethoxy-5,3'-Dihydroxy-6,7,4'-trimethoxyflavone5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4h-chromen-4-on5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one6-Methoxyluteolin 4 inverted exclamation marka,7-dimethyl ether6-methoxyluteolin-4'',7-dimethyl ether855-96-9A1-01414AC1L3Y1IAC1Q6AIHACon1_001351AJ-08019AK112334AKOS015856247AX8082670BDBM50344054C-57546CCG-38698CHEBI:136666CHEMBL487402CTK8D4716DTXSID20234704DivK1c_007019Eupatorin, >=97% (HPLC)Eupatorin, analytical standardEupatorineFT-0614615Flavone, 3',5-dihydroxy-4',6,7-trimethoxy-Flavone, 3',5-dihydroxy-4',6,7-trimethoxy- (8CI)Flavone,5-dihydroxy-4',6,7-trimethoxy-HMS3262O20I14-111109KBio1_001963KBio2_001517KBio2_004085KBio2_006653KBioGR_002532KBioSS_001517KLAOKWJLUQKWIF-UHFFFAOYSA-NKinome_3214LMPK12111239MCULE-7438854859MFCD00016929MolPort-001-742-461NCGC00180598-01NCGC00261484-01NSC 106402SCHEMBL555597SPBio_000532ST24044768ST50331588ST5331588SpecPlus_000923Spectrum2_000456Spectrum4_001833Spectrum5_000625Spectrum_001037TR-026736Tox21_500799UNII-3J474AV6MYW1625ZB000328ZINC00001412ZINC1412

Cross References

Trusted external identifiers retained for this final record.

Cas

855-96-9

Hit

C0067

Herb

HBIN026154

Npass

NPC160951

Tcmid

7590

Tcmsp

MOL001733MOL007418

Sym Map

SMIT01412SMIT04102

Tcm Id

1289712898166831816220013226144429

Pub Chem

97214

Tcmbank

TCMBANKIN002281

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

Mol Wt

344.319

Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O

Mol Log P

2.897000000000001

Version

v1,v2

In Ch Ikey

KLAOKWJLUQKWIF-UHFFFAOYSA-N

Ob Score

30.23221727

Suppress

Num Hdonors

Drug Likeness

0.751

Num Hacceptors

Isomeric Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O

Molecule Weight

344.34

Canonical Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O

Herb Alias Names

855-96-93',5-Dihydroxy-4',6,7-trimethoxyflavoneEupatorine5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneNSC 1064025-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one5,3'-Dihydroxy-6,7,4'-trimethoxyflavoneUNII-3J474AV6MY5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

Molecular Weight

344.3 g/mol

Molecule Formula

C18H16O7|C30H52O

Molecular Formula

C18H16O7

Molecular Formula

C18H16O7

Num Rotatable Bonds

Link Ingredient Id

1412.0