IngredientID 9998

Kuwanon g

C40H36O11

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Herb: 9Ingredient: 1Target: 5Links: 14

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 9998
Core Entity Id: 14279
Source Entity Count: 1
Preferred Name: Kuwanon g
Name En
Pubchem Id: 12773960
Smiles Canonical: CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O
Molecular Formula: C40H36O11
Molecular Weight: 692.7170
Inchikey: APPXYONGBIXGRO-AIQWNVMPSA-N
Inchi: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3
Isomeric Smiles: CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O
Cas Id: 75629-19-5
Ob Score: 3.0137
Mol Logp: 7.3300
Num H Donors: 8
Num H Acceptors: 11
Num Rotatable Bonds: 7
Drug Likeness: 0.0630
Polar Surface Area: 205.0000
Molecular Volume: 444.0000
Alogp: 7.0000

Names

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

Name

Albanin F

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Kuwanone G

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Albanin F

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Albanin f

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Albanin f

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Kuwanon G

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Kuwanon G

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Kuwanon G

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Kuwanon g

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Kuwanon g

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Kuwanone G

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Kuwanone G

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Kuwanone G

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Kuwanone g

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Kuwanone g

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

albanin F

Role

preferred

Source

TCMBank

Preferred

Yes

Name

桑叶

Role

TCM_name

Source

TCMBank

Preferred

Name

SANG YE

Role

TCM_name2

Source

TCMBank

Preferred

Name

White Mulberry

Role

TCM_name_en

Source

TCMBank

Preferred

Name

White Mulberry Leaf

Role

TCM_name_en

Source

TCMBank

Preferred

Name

2-(2,4-dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

2-(2,4-dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

75629-19-5

Role

alias

Source

itcmdb_public

Preferred

Name

75629-19-5

Role

alias

Source

HERB_v2

Preferred

Name

8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

AC1NYHC0

Role

alias

Source

TCMBank

Preferred

Name

AC1NYHC0

Role

alias

Source

SymMap_v2

Preferred

Name

ALBANIN F

Role

alias

Source

SymMap_v2

Preferred

Name

BDBM646493

Role

alias

Source

HERB_v2

Preferred

Name

BDBM646493

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:185608

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:185608

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:6146

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:6146

Role

alias

Source

HERB_v2

Preferred

Name

GQ6QVK8YZM

Role

alias

Source

itcmdb_public

Preferred

Name

GQ6QVK8YZM

Role

alias

Source

HERB_v2

Preferred

Name

Kuwanon

Role

alias

Source

itcmdb_public

Preferred

Name

Kuwanon

Role

alias

Source

HERB_v2

Preferred

Name

Kuwanon G

Role

alias

Source

HERB_v2

Preferred

Name

Kuwanon G

Role

alias

Source

itcmdb_public

Preferred

Name

Kuwanone G

Role

alias

Source

HERB_v2

Preferred

Name

Kuwanone G

Role

alias

Source

SymMap_v2

Preferred

Name

Kuwanone G

Role

alias

Source

TCMBank

Preferred

Name

Kuwanone G

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL16362642

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL16362642

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL16362642

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL16362642

Role

alias

Source

itcmdb_public

Preferred

Name

US20240024403, Compound Kuwanon G

Role

alias

Source

itcmdb_public

Preferred

Name

US20240024403, Compound Kuwanon G

Role

alias

Source

HERB_v2

Preferred

Name

albanin f

Role

alias

Source

TCMBank

Preferred

Name

kumanon G

Role

alias

Source

itcmdb_public

Preferred

Name

kumanon G

Role

alias

Source

HERB_v2

Preferred

Name

kuwanon g

Role

alias

Source

TCMBank

Preferred

Name

moracenin b

Role

alias

Source

HERB_v2

Preferred

Name

moracenin b

Role

alias

Source

SymMap_v2

Preferred

Name

moracenin b

Role

alias

Source

TCMBank

Preferred

Name

moracenin b

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

Albanin FKuwanone G桑叶SANG YEWhite MulberryWhite Mulberry Leaf2-(2,4-dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one75629-19-58-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-oneAC1NYHC0BDBM646493CHEBI:185608CHEBI:6146GQ6QVK8YZMKuwanonSCHEMBL16362642US20240024403, Compound Kuwanon Gkumanon Gmoracenin b

Cross References

Trusted external identifiers retained for this final record.

Cas

75629-19-5

Herb

HBIN015058HBIN032426HBIN032429

Npass

NPC194554NPC54830

Tcmid

123813034533337

Tcmsp

MOL012695

Sym Map

SMIT13430SMIT16229SMIT19073SMIT22229

Tcm Id

202557056

Pub Chem

1277396052816675830135

Tcmbank

TCMBANKIN033191TCMBANKIN048328TCMBANKIN048835

Etcm Ingredient

Kuwanon GKuwanone G

Itcmdb Generated

ITX-INGREDIENT-044958579D5BITX-INGREDIENT-735670E6EFAFITX-INGREDIENT-9D25B1CA989B

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

In Ch I

InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1

Mol Wt

692.7170000000004

Cas Id

75629-19-5

Smiles

CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)Oc1([C@@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])[C@@]([H])(c3c([H])c([H])c(O[H])c([H])c3O[H])[C@@]2(C(=O)c4c(O[H])c([H])c(O[H])c([H])c4[H])[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5O[H])=C(C([H])([H])\C( [H])=C(/C([H])([H])[H])\C([H])([H])[H])C6=O)c6c(O[H])c([H])c1O[H]

37 Flag

C Count

Mol Log P

7.330000000000007

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

APPXYONGBIXGRO-AIQWNVMPSA-NAPPXYONGBIXGRO-UHFFFAOYSA-N

Ob Score

3.0136859963.0136863.014

Suppress

Tcm Name

桑叶

Tcm Name2

SANG YE

Mol2 Path

/TCM_database/2003_3d_all/4780.mol2/TCM_database/2007_3d_all/12385.mol2

Reference

658658, 3034

Num Hdonors

Tcm Name En

White MulberryWhite Mulberry Leaf

Num H Donors

Drug Likeness

0.063

Num Hacceptors

Isomeric Smiles

CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)OCC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O

Molecule Weight

692.76

Num H Acceptors

Canonical Smiles

CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O

Herb Alias Names

8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one8-(6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-oneSCHEMBL16362642CHEBI:185608BDBM646493US20240024403, Compound Kuwanon G

Molecular Weight

692.230

Molecular Volume

444

Molecular Weight

692.7 g/mol692.71693

Molecule Formula

C40H36O11

Molecular Formula

C40H36O11

Molecular Formula

C40H36O11

Molecular Formula

C40H36O11

Num Rotatable Bonds

Link Ingredient Id

13430.0

Num Rotatable Bonds

Molecular Polar Surface Area

205

Fda Maximum Daily Dose (Fdamdd)

0.964

Quantitative Estimate Of Drug Likeness（Qed）

0.063