IngredientID 24110

Ladanein

C17H14O6

Relationship Network

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Herb: 3Ingredient: 1Links: 3

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24110
Core Entity Id: 29983
Source Entity Count: 1
Preferred Name: Ladanein
Name En
Pubchem Id: 3084066
Smiles Canonical: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
Molecular Formula: C17H14O6
Molecular Weight: 314.2930
Inchikey: UUQJTIHOVGMQIH-UHFFFAOYSA-N
Inchi: InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3
Isomeric Smiles: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
Cas Id
Ob Score
Mol Logp: 2.8884
Num H Donors: 2
Num H Acceptors: 6
Num Rotatable Bonds: 3
Drug Likeness: 0.7230
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Ladanein

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ladanein

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ladanein

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ladanein

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ladanein

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ladanein

Role

preferred

Source

TCMBank

Preferred

Yes

Name

雄蕊状直管草

Role

TCM_name

Source

TCMBank

Preferred

Name

XIONG RUI ZHUANG ZHI GUAN CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Big-flowered Javatea

Role

TCM_name_en

Source

TCMBank

Preferred

Name

10176-71-3

Role

alias

Source

HERB_v2

Preferred

Name

10176-71-3

Role

alias

Source

itcmdb_public

Preferred

Name

10176-71-3

Role

alias

Source

TCMBank

Preferred

Name

10176-71-3

Role

alias

Source

SymMap_v2

Preferred

Name

4',7-dimethylscutellarein

Role

alias

Source

itcmdb_public

Preferred

Name

4',7-dimethylscutellarein

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-

Role

alias

Source

SymMap_v2

Preferred

Name

4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

5,6-dihydroxy-4',7-dimethoxyflavone

Role

alias

Source

SymMap_v2

Preferred

Name

5,6-dihydroxy-4',7-dimethoxyflavone

Role

alias

Source

TCMBank

Preferred

Name

5,6-dihydroxy-7,4'-dimethoxyflavone

Role

alias

Source

TCMBank

Preferred

Name

5,6-dihydroxy-7,4'-dimethoxyflavone

Role

alias

Source

HERB_v2

Preferred

Name

5,6-dihydroxy-7,4'-dimethoxyflavone

Role

alias

Source

SymMap_v2

Preferred

Name

5,6-dihydroxy-7,4'-dimethoxyflavone

Role

alias

Source

itcmdb_public

Preferred

Name

5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

AC1MJ1UL

Role

alias

Source

TCMBank

Preferred

Name

AC1MJ1UL

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS032962667

Role

alias

Source

TCMBank

Preferred

Name

AKOS032962667

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL209257

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL209257

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID00144175

Role

alias

Source

TCMBank

Preferred

Name

DTXSID00144175

Role

alias

Source

SymMap_v2

Preferred

Name

LMPK12111165

Role

alias

Source

SymMap_v2

Preferred

Name

LMPK12111165

Role

alias

Source

TCMBank

Preferred

Name

Ladanine

Role

alias

Source

HERB_v2

Preferred

Name

Ladanine

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL737069

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL737069

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL737069

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL737069

Role

alias

Source

SymMap_v2

Preferred

Name

Scutellarein 4',7- dimethyl ether

Role

alias

Source

HERB_v2

Preferred

Name

Scutellarein 4',7-dimethyl ether

Role

alias

Source

itcmdb_public

Preferred

Name

UUQJTIHOVGMQIH-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

UUQJTIHOVGMQIH-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC13484812

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC13484812

Role

alias

Source

TCMBank

Preferred

Name

ladanein

Role

alias

Source

SymMap_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

雄蕊状直管草XIONG RUI ZHUANG ZHI GUAN CAOBig-flowered Javatea10176-71-34',7-dimethylscutellarein4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one5,6-dihydroxy-4',7-dimethoxyflavone5,6-dihydroxy-7,4'-dimethoxyflavone5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-oneAC1MJ1ULAKOS032962667CHEMBL209257DTXSID00144175LMPK12111165LadanineSCHEMBL737069Scutellarein 4',7- dimethyl etherScutellarein 4',7-dimethyl etherUUQJTIHOVGMQIH-UHFFFAOYSA-NZINC13484812

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN032547

Npass

NPC57030

Tcmid

12443

Sym Map

SMIT16238

Tcm Id

1079210793

Pub Chem

3084066

Tcmbank

TCMBANKIN042022

Etcm Ingredient

Ladanein

Itcmdb Generated

ITX-INGREDIENT-F3308B653650

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3

Mol Wt

314.293

Mol Log P

2.888400000000003

Version

v1,v2

In Ch Ikey

UUQJTIHOVGMQIH-UHFFFAOYSA-N

Suppress

Tcm Name

雄蕊状直管草

Tcm Name2

XIONG RUI ZHUANG ZHI GUAN CAO

Mol2 Path

/TCM_database/2007_3d_all/12448.mol2

Reference

3053, 5378

Num Hdonors

Tcm Name En

Big-flowered Javatea

Drug Likeness

0.723

Num Hacceptors

Isomeric Smiles

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

Canonical Smiles

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

Herb Alias Names

10176-71-35,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one5,6-dihydroxy-7,4'-dimethoxyflavoneScutellarein 4',7- dimethyl etherLadanineScutellarein 4',7-dimethyl ether4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4',7-dimethylscutellareinSCHEMBL737069

Molecular Weight

314.080

Molecular Weight

314.29 g/mol

Molecule Formula

C17H14O6

Molecular Formula

C17H14O6

Molecular Formula

C17H14O6

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.213

Quantitative Estimate Of Drug Likeness（Qed）

0.723