IngredientID 10647

Amurensin

C20H20O7

Relationship Network

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

Click a node to open it in a new tab

Herb: 9Ingredient: 1Target: 12Links: 21

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10647
Core Entity Id: 14996
Source Entity Count: 1
Preferred Name: Amurensin
Name En
Pubchem Id: 12306115
Smiles Canonical: CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Formula: C20H20O7
Molecular Weight: 372.3730
Inchikey: CTGVBHDTGZUEJZ-UHFFFAOYSA-N
Inchi: InChI=1S/C20H20O7/c1-20(2,26)8-7-12-13(22)9-14(23)15-16(24)17(25)18(27-19(12)15)10-3-5-11(21)6-4-10/h3-6,9,21-23,25-26H,7-8H2,1-2H3
Isomeric Smiles: CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Cas Id: 641-94-1
Ob Score: 26.3690
Mol Logp: 0.4590
Num H Donors: 5
Num H Acceptors: 12
Num Rotatable Bonds: 4
Drug Likeness: 0.2080
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Amurensin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Amurensin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Amurensin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Amurensin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Amurensin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Amurensin_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Amurensin_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Amurensin_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Amurensin_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-4h-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-4h-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone

Role

alias

Source

TCMBank

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

5240-95-9

Role

alias

Source

HERB_v2

Preferred

Name

5240-95-9

Role

alias

Source

itcmdb_public

Preferred

Name

641-94-1

Role

alias

Source

TCMBank

Preferred

Name

641-94-1

Role

alias

Source

HERB_v2

Preferred

Name

641-94-1

Role

alias

Source

itcmdb_public

Preferred

Name

AC-34647

Role

alias

Source

itcmdb_public

Preferred

Name

AC-34647

Role

alias

Source

HERB_v2

Preferred

Name

AKOS037515456

Role

alias

Source

itcmdb_public

Preferred

Name

AKOS037515456

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL454069

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL454069

Role

alias

Source

itcmdb_public

Preferred

Name

F3862WT2AZ

Role

alias

Source

HERB_v2

Preferred

Name

F3862WT2AZ

Role

alias

Source

itcmdb_public

Preferred

Name

HY-N1413

Role

alias

Source

HERB_v2

Preferred

Name

HY-N1413

Role

alias

Source

itcmdb_public

Preferred

Name

LMPK12111723

Role

alias

Source

TCMBank

Preferred

Name

LMPK12111982

Role

alias

Source

HERB_v2

Preferred

Name

LMPK12111982

Role

alias

Source

itcmdb_public

Preferred

Name

NOR-ICARITIN

Role

alias

Source

itcmdb_public

Preferred

Name

Noricaritin

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL4213916

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL4213916

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-F3862WT2AZ

Role

alias

Source

HERB_v2

Preferred

Name

UNII-F3862WT2AZ

Role

alias

Source

itcmdb_public

Preferred

Name

amurensin

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Amurensin_Qt3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-4h-chromen-4-one3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-5240-95-9641-94-1AC-34647AKOS037515456CHEMBL454069F3862WT2AZHY-N1413LMPK12111723LMPK12111982NOR-ICARITINNoricaritinSCHEMBL4213916UNII-F3862WT2AZ

Cross References

Trusted external identifiers retained for this final record.

Cas

641-94-1

Herb

HBIN015916HBIN015924

Npass

NPC183672

Tcmid

109123987

Tcmsp

MOL002654MOL002655

Sym Map

SMIT04857SMIT04858SMIT14270SMIT19567

Tcm Id

22206822

Pub Chem

1230611514427423442587955318156

Tcmbank

TCMBANKIN009672TCMBANKIN019952

Etcm Ingredient

Amurensin

Itcmdb Generated

ITX-INGREDIENT-4BCC04C52457

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C20H20O7/c1-20(2,26)8-7-12-13(22)9-14(23)15-16(24)17(25)18(27-19(12)15)10-3-5-11(21)6-4-10/h3-6,9,21-23,25-26H,7-8H2,1-2H3InChI=1S/C26H30O12/c1-26(2,35)8-7-13-15(36-25-22(34)20(32)18(30)16(10-27)37-25)9-14(29)17-19(31)21(33)23(38-24(13)17)11-3-5-12(28)6-4-11/h3-6,9,16,18,20,22,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,18-,20+,22-,25-/m1/s1

Mol Wt

372.373534.5140000000002

Cas Id

641-94-1

Smiles

CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Mol Log P

0.45900000000000062.985900000000003

Version

v1,v2

In Ch Ikey

CTGVBHDTGZUEJZ-UHFFFAOYSA-NUNHHWEHQUUGKEE-MLLLWRCASA-N

Ob Score

26.36926.3693849326.3693853.7433.7433807273.743381

Suppress

Num Hdonors

Drug Likeness

0.2080.476

Num Hacceptors

127

Isomeric Smiles

CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O

Molecule Weight

372.4534.56

Canonical Smiles

CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)OCC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O

Herb Alias Names

641-94-1F3862WT2AZUNII-F3862WT2AZ4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4H-chromen-4-one3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneCHEMBL454069

Molecular Weight

534.170

Molecular Weight

534.51

Molecule Formula

C26H30O12

Molecular Formula

C26H30O12

Molecular Formula

C26H30O12

Molecular Formula

C20H20O7C26H30O12

Num Rotatable Bonds

Link Ingredient Id

4857.0

Fda Maximum Daily Dose (Fdamdd)

0.003

Quantitative Estimate Of Drug Likeness（Qed）

0.208