Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2864
- Core Entity Id
- 6373
- Source Entity Count
- 1
- Preferred Name
- (2s)-dihydrobaicalein
- Name En
- Pubchem Id
- 14135323
- Smiles Canonical
- C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- GPDJGLOROGNHJD-NSHDSACASA-N
- Inchi
- InChI=1S/C15H12O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-5,7,11,17-19H,6H2/t11-/m0/s1
- Isomeric Smiles
- C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3
- Cas Id
- Ob Score
- 40.0380
- Mol Logp
- 2.5099
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-Dihydrobaicalein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-dihydrobaicalein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-dihydrobaicalein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-dihydrobaicalein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-5,6,7-trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2s)-5,6,7-trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50595386
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50595386
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL402227
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL402227
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8119
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8119
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7-trihydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
35683-17-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7-Trihydroxy-2-phenylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BAICALEIN_met006
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196258
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001188384
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydrobaicalein
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12068882
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0010028
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2s)-5,6,7-trihydroxyflavanoneBDBM50595386CHEMBL402227FS-81195,6,7-trihydroxyflavanone35683-17-15,6,7-Trihydroxy-2-phenylchroman-4-one5,6,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-oneBAICALEIN_met006CHEBI:196258DTXSID001188384DihydrobaicaleinSCHEMBL12068882starbld0010028
Cross References
Trusted external identifiers retained for this final record.
Cas
117859-32-2
Herb
HBIN006798HBIN011115
Npass
NPC204515NPC169454
Tcmid
35695
Tcmsp
MOL002913
Sym Map
SMIT05072SMIT19784
Tcm Id
7723
Pub Chem
141353239816931
Tcmbank
TCMBANKIN031170TCMBANKIN006731
Itcmdb Generated
ITX-INGREDIENT-C99401F73ADE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-5,7,11,17-19H,6H2/t11-/m0/s1
Mol Wt
272.256
Smiles
C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3
Mol Log P
2.509900000000002
Version
v2
In Ch Ikey
GPDJGLOROGNHJD-NSHDSACASA-N
Ob Score
40.038
Suppress
0
Num Hdonors
3
Drug Likeness
0.694
Num Hacceptors
5
Isomeric Smiles
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3
Canonical Smiles
C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3
Herb Alias Names
CHEMBL402227(2s)-5,6,7-trihydroxyflavanoneBDBM50595386FS-8119
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1