Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3505
- Core Entity Id
- 7081
- Source Entity Count
- 1
- Preferred Name
- 3,5,7,2'6'-pentahydroxyflavanone
- Name En
- Pubchem Id
- 157633
- Smiles Canonical
- C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C15H12O7
- Molecular Weight
- 304.2540
- Inchikey
- NBQYBZYBTNQEQG-LSDHHAIUSA-N
- Inchi
- InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1
- Isomeric Smiles
- C1=CC(=C(C(=C1)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1863
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,7,2'6'-Pentahydroxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,5,7,2'6'-Pentahydroxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5,7,2'6'-pentahydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,7,2'6'-pentahydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,7,2'6'-pentahydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄芩
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG QIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Baikal Skullcap
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2 inverted exclamation marka,3,5,6 inverted exclamation marka,7-Pentahydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2 inverted exclamation marka,3,5,6 inverted exclamation marka,7-Pentahydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7,2',6'-pentahydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7,2',6'-pentahydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
80366-15-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
80366-15-0
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760973
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760973
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50478456
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50478456
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465772
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465772
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40230288
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40230288
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1676
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1676
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',3,5,6',7-pentahydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',6'-Dihydroxypinobanksin
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,6-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7,2',6'-Pentahydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022184910
Role
alias
Source
HERB_v2
Preferred
No
Name
B0005-151919
Role
alias
Source
HERB_v2
Preferred
No
Name
Ganhuangemin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄芩HUANG QINBaikal Skullcap(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one2 inverted exclamation marka,3,5,6 inverted exclamation marka,7-Pentahydroxyflavanone3,5,7,2',6'-pentahydroxyflavanone4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-80366-15-0AKOS040760973BDBM50478456CHEMBL465772DTXSID40230288HY-N16762',3,5,6',7-pentahydroxyflavanone2',6'-Dihydroxypinobanksin2-(2,6-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneAKOS022184910B0005-151919Ganhuangemin
Cross References
Trusted external identifiers retained for this final record.
Cas
82854-32-8
Herb
HBIN007563HBIN003912
Npass
NPC208176
Tcmid
16833
Sym Map
SMIT17131
Tcm Id
8974
Pub Chem
15763371307292
Tcmbank
TCMBANKIN046872TCMBANKIN058106
Itcmdb Generated
ITX-INGREDIENT-738B065BB51A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1
Mol Wt
304.254
Smiles
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Mol Log P
1.1863
Version
v1,v2
In Ch Ikey
NBQYBZYBTNQEQG-LSDHHAIUSA-N
Suppress
0
Tcm Name
黄芩
Tcm Name2
HUANG QIN
Mol2 Path
/TCM_database/2007_3d_all/16846.mol2
Reference
2, 660, 1521
Num Hdonors
5
Tcm Name En
Baikal Skullcap
Drug Likeness
0.535
Num Hacceptors
7
Isomeric Smiles
C1=CC(=C(C(=C1)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Canonical Smiles
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Herb Alias Names
80366-15-0CHEMBL465772(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-2 inverted exclamation marka,3,5,6 inverted exclamation marka,7-Pentahydroxyflavanone3,5,7,2',6'-pentahydroxyflavanoneDTXSID40230288HY-N1676BDBM50478456AKOS040760973
Molecular Formula
C15H12O7
Num Rotatable Bonds
1