IngredientID 8369

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromone

C25H26O4

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Herb: 1Ingredient: 1Target: 2Links: 3

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 8369
Core Entity Id: 12472
Source Entity Count: 1
Preferred Name: 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromone
Name En
Pubchem Id: 11349817
Smiles Canonical: CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C
Molecular Formula: C25H26O4
Molecular Weight: 390.4790
Inchikey: GLDVIKFETPAZNV-UHFFFAOYSA-N
Inchi: InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3
Isomeric Smiles: CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C
Cas Id
Ob Score: 4.4410
Mol Logp: 5.8886
Num H Donors: 2
Num H Acceptors: 4
Num Rotatable Bonds: 5
Drug Likeness: 0.5330
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

7-Hydroxy-2-[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-6-(3-Methylbut-2-Enyl)Chromone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-

Role

alias

Source

itcmdb_public

Preferred

Name

7-Hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

7-Hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

Role

alias

Source

HERB_v2

Preferred

Name

7-Hydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

7-Hydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

91433-17-9

Role

alias

Source

HERB_v2

Preferred

Name

91433-17-9

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL3125437

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL3125437

Role

alias

Source

itcmdb_public

Preferred

Name

Licoflavone B

Role

alias

Source

HERB_v2

Preferred

Name

Licoflavone B

Role

alias

Source

itcmdb_public

Preferred

Name

Prenyllicoflavone A

Role

alias

Source

HERB_v2

Preferred

Name

Prenyllicoflavone A

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-VMN9VGP9XJ

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-VMN9VGP9XJ

Role

alias

Source

HERB_v2

Preferred

Name

VMN9VGP9XJ

Role

alias

Source

itcmdb_public

Preferred

Name

VMN9VGP9XJ

Role

alias

Source

HERB_v2

Preferred

Name

粗毛甘草

Role

TCM_name

Source

TCMBank

Preferred

Name

CU MAO GAN CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Hirsute Licorice

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-7-Hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one7-Hydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-4-chromenone7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one91433-17-9CHEMBL3125437Licoflavone BPrenyllicoflavone AUNII-VMN9VGP9XJVMN9VGP9XJ粗毛甘草CU MAO GAN CAOHirsute Licorice

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN013209HBIN033103

Npass

NPC172986

Tcmid

12769

Tcmsp

MOL004852

Sym Map

SMIT06700

Pub Chem

11349817

Tcmbank

TCMBANKIN020954TCMBANKIN049912

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3

Mol Wt

390.4790000000002

Mol Log P

5.888600000000006

Version

v1,v2

In Ch Ikey

GLDVIKFETPAZNV-UHFFFAOYSA-N

Ob Score

4.4414.4410125454.441013

Suppress

Tcm Name

粗毛甘草

Tcm Name2

CU MAO GAN CAO

Mol2 Path

/TCM_database/2007_3d_all/12775.mol2

Reference

2431

Num Hdonors

Tcm Name En

Hirsute Licorice

Drug Likeness

0.533

Num Hacceptors

Isomeric Smiles

CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C

Molecule Weight

390.51

Canonical Smiles

CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C

Herb Alias Names

Licoflavone B91433-17-9Prenyllicoflavone AVMN9VGP9XJ7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-oneCHEMBL31254374H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-7-Hydroxy-2-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one7-Hydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneUNII-VMN9VGP9XJ

Molecular Weight

390.51

Molecular Formula

C25H26O4

Num Rotatable Bonds