Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3716
- Core Entity Id
- 7317
- Source Entity Count
- 1
- Preferred Name
- 3,8''-biapigenin
- Name En
- Pubchem Id
- 10414856
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
- Molecular Formula
- C30H18O10
- Molecular Weight
- 538.4640
- Inchikey
- IQAMTZLKUHMPPE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
- Isomeric Smiles
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.1340
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.1770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,8''-Biapigenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,8''-Biapigenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,8''-biapigenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,8''-biapigenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
荞麦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAO MAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Buckwheat
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
101140-06-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
101140-06-1
Role
alias
Source
HERB_v2
Preferred
No
Name
13,Ii8-Biapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
13,Ii8-Biapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,8'-Biapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,8'-Biapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL515252
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL515252
Role
alias
Source
HERB_v2
Preferred
No
Name
I3,II8-Biapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
I3,II8-Biapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
biapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
biapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
荞麦QIAO MAICommon Buckwheat101140-06-113,Ii8-Biapigenin3,8'-Biapigenin3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavoneCHEMBL515252I3,II8-Biapigenin[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-biapigenin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007818
Npass
NPC288840
Tcmid
2347
Pub Chem
10414856
Tcmbank
TCMBANKIN037218
Etcm Ingredient
3,8''-Biapigenin
Itcmdb Generated
ITX-INGREDIENT-A0DC7683E41C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
Mol Wt
538.4640000000004
Mol Log P
5.134000000000007
In Ch Ikey
IQAMTZLKUHMPPE-UHFFFAOYSA-N
Tcm Name
荞麦
Tcm Name2
QIAO MAI
Mol2 Path
/TCM_database/2007_3d_all/02347.mol2
Reference
660
Num Hdonors
6
Tcm Name En
Common Buckwheat
Drug Likeness
0.177
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
Canonical Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
Herb Alias Names
3,8'-Biapigenin101140-06-1biapigenin13,Ii8-BiapigeninCHEMBL5152523-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneBiapigeninI3,II8-Biapigenin[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone
Molecular Weight
538.090
Molecular Weight
538.5 g/mol
Molecular Formula
C30H18O10
Molecular Formula
C30H18O10
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.528
Quantitative Estimate Of Drug Likeness（Qed）
0.177