Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 508
- Core Entity Id
- 3758
- Source Entity Count
- 1
- Preferred Name
- 2',3'-dihydroxy-4',6'-dimethoxychalcone
- Name En
- Pubchem Id
- 14159747
- Smiles Canonical
- COC1=CC(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)O)OC
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- IAYOHSHBLLHXFB-CMDGGOBGSA-N
- Inchi
- InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
- Isomeric Smiles
- COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.0111
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',3'-Dihydroxy-4',6'-dimethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',3'-dihydroxy-4',6'-dimethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2',3'-dihydroxy-4',6'-dimethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
甜紫玉盘*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN ZI YU PAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Uvaria*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
54299-64-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
54299-64-8
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000124
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_000124
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM47548
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM47548
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1446527
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1446527
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001483
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_001483
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000863647
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000863647
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000440760
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000440760
Role
alias
Source
itcmdb_public
Preferred
No
Name
cid_14159747
Role
alias
Source
HERB_v2
Preferred
No
Name
cid_14159747
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甜紫玉盘*TIAN ZI YU PANSweet Uvaria*(E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one54299-64-8ACon1_000124BDBM47548CHEMBL1446527MEGxp0_001483MLS000863647SMR000440760cid_14159747
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004045
Npass
NPC92722
Tcmid
5819
Pub Chem
14159747
Tcmbank
TCMBANKIN037970
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
Mol Wt
300.3100000000001
Mol Log P
3.011100000000003
In Ch Ikey
IAYOHSHBLLHXFB-CMDGGOBGSA-N
Tcm Name
甜紫玉盘*
Tcm Name2
TIAN ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/05820.mol2
Reference
3928
Num Hdonors
2
Tcm Name En
Sweet Uvaria*
Drug Likeness
0.504
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)O)OC
Canonical Smiles
COC1=CC(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)O)OC
Herb Alias Names
MLS000863647SMR000440760(E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one54299-64-8MEGxp0_001483CHEMBL1446527ACon1_000124BDBM47548cid_14159747
Molecular Weight
300.3 g/mol
Molecular Formula
C17H16O5
Num Rotatable Bonds
5