Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31059
- Core Entity Id
- 37706
- Source Entity Count
- 1
- Preferred Name
- Puerarin xyloside ii
- Name En
- Pubchem Id
- 100990912
- Smiles Canonical
- C1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
- Molecular Formula
- C26H28O13
- Molecular Weight
- 548.4970
- Inchikey
- YCFQXQCEEPCZMO-KATYHMCLSA-N
- Inchi
- InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.1506
- Num H Donors
- 8
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Puerarin Xyloside Ii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Puerarin xyloside II
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Puerarin xyloside II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Puerarin xyloside ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Puerarin xyloside ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
葛根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GE GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lobed Kudzuvine Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
114240-18-5
Role
alias
Source
HERB_v2
Preferred
No
Name
114240-18-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037515180
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS037515180
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50594970
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50594970
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5196038
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5196038
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-77227
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-77227
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2135
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2135
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pueraria glycoside 2
Role
alias
Source
HERB_v2
Preferred
No
Name
Pueraria glycoside 2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Puerarin 6''-O-xyloside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Puerarin 6''-O-xyloside
Role
alias
Source
HERB_v2
Preferred
No
Name
puerariaglycoside 2
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
葛根GE GENLobed Kudzuvine Root114240-18-57-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-oneAKOS037515180BDBM50594970CHEMBL5196038DA-77227HY-N2135Pueraria glycoside 2Puerarin 6''-O-xylosidepuerariaglycoside 2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041257
Tcmid
18169
Sym Map
SMIT17369
Pub Chem
100990912
Tcmbank
TCMBANKIN010450TCMBANKIN058478
Etcm Ingredient
Puerarin xyloside II
Itcmdb Generated
ITX-INGREDIENT-31EECB68178FITX-INGREDIENT-8AB15C747B8DITX-INGREDIENT-F504BA40E9D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1
Mol Wt
548.4970000000004
Smiles
C1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Mol Log P
-1.150600000000001
Version
v1,v2
In Ch Ikey
YCFQXQCEEPCZMO-KATYHMCLSA-N
Suppress
0
Tcm Name
葛根
Tcm Name2
GE GEN
Mol2 Path
/TCM_database/2007_3d_all/18183.mol2
Reference
1298
Num Hdonors
8
Tcm Name En
Lobed Kudzuvine Root
Drug Likeness
0.189
Num Hacceptors
13
Isomeric Smiles
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Canonical Smiles
C1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Herb Alias Names
Puerarin 6''-O-xyloside114240-18-5CHEMBL5196038Pueraria glycoside 27-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-onePuerarin6''-O-xylosideHY-N2135BDBM50594970AKOS037515180DA-77227
Molecular Weight
548.150
Molecular Weight
548.49
Molecular Formula
C26H28O13
Molecular Formula
C26H28O13
Molecular Formula
C26H28O13
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.189