IngredientID 2473

Kanzonol y

C25H30O5

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Herb: 2Ingredient: 1Target: 4Links: 7

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 2473
Core Entity Id: 5935
Source Entity Count: 1
Preferred Name: Kanzonol y
Name En
Pubchem Id: 10001604
Smiles Canonical: CC(=CCC1=CC(=C(C=C1O)O)C(=O)C(CC2=CC(=C(C=C2)O)CC=C(C)C)O)C
Molecular Formula: C25H30O5
Molecular Weight: 410.5100
Inchikey: DKIYWPRXYDNQFG-XMMPIXPASA-N
Inchi: InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3/t24-/m1/s1
Isomeric Smiles: CC(=CCC1=CC(=C(C=C1O)O)C(=O)[C@@H](CC2=CC(=C(C=C2)O)CC=C(C)C)O)C
Cas Id
Ob Score: 1.0640
Mol Logp: 4.6071
Num H Donors: 4
Num H Acceptors: 5
Num Rotatable Bonds: 8
Drug Likeness: 0.3760
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

(2R)-1-[2,4-Dihydroxy-5-(3-Methylbut-2-Enyl)Phenyl]-2-Hydroxy-3-[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Propan-1-One

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(2R)-1-[2,4-Dihydroxy-5-(3-Methylbut-2-Enyl)Phenyl]-2-Hydroxy-3-[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Propan-1-One

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(2R)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(2R)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(2r)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2r)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Kanzonol Y

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Kanzonol y

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Kanzonol y

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

光果甘草

Role

TCM_name

Source

TCMBank

Preferred

Name

GUANG GUO GAN CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Licorice

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2R)-1-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-2-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-1-one

Role

alias

Source

HERB_v2

Preferred

Name

(2R)-1-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-2-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

1-Propanone, 1-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, (2R)-

Role

alias

Source

HERB_v2

Preferred

Name

1-Propanone, 1-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, (2R)-

Role

alias

Source

itcmdb_public

Preferred

Name

184584-87-0

Role

alias

Source

HERB_v2

Preferred

Name

184584-87-0

Role

alias

Source

itcmdb_public

Preferred

Name

4,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalcone

Role

alias

Source

itcmdb_public

Preferred

Name

4,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalcone

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50441623

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50441623

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL2437363

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL2437363

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID301318491

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID301318491

Role

alias

Source

HERB_v2

Preferred

Name

Kanzonol Y

Role

alias

Source

itcmdb_public

Preferred

Name

Kanzonol Y

Role

alias

Source

HERB_v2

Preferred

Name

LMPK12120571

Role

alias

Source

itcmdb_public

Preferred

Name

LMPK12120571

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

(2R)-1-[2,4-Dihydroxy-5-(3-Methylbut-2-Enyl)Phenyl]-2-Hydroxy-3-[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Propan-1-One光果甘草GUANG GUO GAN CAOLicorice(2R)-1-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-2-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-1-one1-Propanone, 1-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, (2R)-184584-87-04,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalconeBDBM50441623CHEMBL2437363DTXSID301318491LMPK12120571

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN006356HBIN032081

Npass

NPC130899

Tcmid

12151

Tcmsp

MOL004816

Sym Map

SMIT06666

Pub Chem

1000160485088559

Tcmbank

TCMBANKIN035970TCMBANKIN048778

Etcm Ingredient

(2R)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Itcmdb Generated

ITX-INGREDIENT-3015EB482AD5

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3/t24-/m1/s1

Mol Wt

410.5100000000002

Mol Log P

4.607100000000005

Version

v1,v2

In Ch Ikey

DKIYWPRXYDNQFG-XMMPIXPASA-N

Ob Score

1.0641.064111.064110185

Suppress

Tcm Name

光果甘草

Tcm Name2

GUANG GUO GAN CAO

Mol2 Path

/TCM_database/2007_3d_all/12155.mol2

Reference

2431

Num Hdonors

Tcm Name En

Licorice

Drug Likeness

0.376

Num Hacceptors

Isomeric Smiles

CC(=CCC1=CC(=C(C=C1O)O)C(=O)[C@@H](CC2=CC(=C(C=C2)O)CC=C(C)C)O)C

Molecule Weight

410.55

Canonical Smiles

CC(=CCC1=CC(=C(C=C1O)O)C(=O)C(CC2=CC(=C(C=C2)O)CC=C(C)C)O)C

Herb Alias Names

Kanzonol YCHEMBL2437363184584-87-04,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalcone(2R)-1-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-2-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-1-oneDTXSID301318491BDBM50441623LMPK121205711-Propanone, 1-[2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, (2R)-

Molecular Weight

410.210

Molecular Weight

410.5 g/mol410.55

Molecular Formula

C25H30O5

Molecular Formula

C25H30O5

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.804

Quantitative Estimate Of Drug Likeness（Qed）

0.474