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
- 1960
- Core Entity Id
- 5367
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-3',5'-diimethoxyflavanone
- Name En
- Pubchem Id
- 16196978
- Smiles Canonical
- COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- TVWVHFSJQNXIRZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O5/c1-20-13-9-14(21-2)16(19)17-15(13)11(18)8-12(22-17)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3
- Isomeric Smiles
- COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1159
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-Hydroxy-3',5'-diimethoxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-hydroxy-3',5'-diimethoxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2'-hydroxy-3',5'-diimethoxyflavanone
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
8-Hydroxy-5,7-dimethoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Hydroxy-5,7-dimethoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
8-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_002446
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_002446
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM61305
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM61305
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1350188
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1350188
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2270H15
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2270H15
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000056
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000056
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000877012
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000877012
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000440603
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000440603
Role
alias
Source
HERB_v2
Preferred
No
Name
cid_16196978
Role
alias
Source
HERB_v2
Preferred
No
Name
cid_16196978
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*8-Hydroxy-5,7-dimethoxyflavanone8-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-oneACon1_002446BDBM61305CHEMBL1350188HMS2270H15MEGxp0_000056MLS000877012SMR000440603cid_16196978
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005739
Tcmid
10012
Pub Chem
16196978
Tcmbank
TCMBANKIN042791
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-20-13-9-14(21-2)16(19)17-15(13)11(18)8-12(22-17)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3
Mol Wt
300.3100000000001
Mol Log P
3.115900000000002
In Ch Ikey
TVWVHFSJQNXIRZ-UHFFFAOYSA-N
Tcm Name
甜紫玉盘*
Tcm Name2
TIAN ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/10013.mol2
Reference
3928
Num Hdonors
1
Tcm Name En
Sweet Uvaria*
Drug Likeness
0.943
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC
Canonical Smiles
COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC
Herb Alias Names
8-Hydroxy-5,7-dimethoxyflavanoneMLS000877012SMR0004406038-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-oneMEGxp0_000056CHEMBL1350188ACon1_002446BDBM61305cid_16196978HMS2270H15
Molecular Formula
C17H16O5
Num Rotatable Bonds
3