Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 509
- Core Entity Id
- 3759
- Source Entity Count
- 1
- Preferred Name
- 2',3'-dihydroxy-4',6'-dimethoxydihydrochalcone
- Name En
- Pubchem Id
- 42607714
- Smiles Canonical
- COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC
- Molecular Formula
- C17H18O5
- Molecular Weight
- 302.3260
- Inchikey
- RZFPYTZZSXAWPH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3
- Isomeric Smiles
- COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.9305
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',3'-dihydroxy-4',6'-dimethoxydihydrochalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',3'-dihydroxy-4',6'-dimethoxydihydrochalcone
Role
preferred
Source
itcmdb_public
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
1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
54299-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
54299-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120557
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120557
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甜紫玉盘*TIAN ZI YU PANSweet Uvaria*1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one54299-22-8LMPK12120557
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004046
Npass
NPC19523
Tcmid
5822
Pub Chem
42607714
Tcmbank
TCMBANKIN046189
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3
Mol Wt
302.326
Mol Log P
2.930500000000003
In Ch Ikey
RZFPYTZZSXAWPH-UHFFFAOYSA-N
Tcm Name
甜紫玉盘*
Tcm Name2
TIAN ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/05823.mol2
Reference
3928
Num Hdonors
2
Tcm Name En
Sweet Uvaria*
Drug Likeness
0.634
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC
Canonical Smiles
COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC
Herb Alias Names
1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-oneLMPK1212055754299-22-8
Molecular Weight
302.32 g/mol
Molecular Formula
C17H18O5
Num Rotatable Bonds
6