Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2506
- Core Entity Id
- 5973
- Source Entity Count
- 1
- Preferred Name
- (2r,3r)-4',7-dihydroxy-2',5-dimethoxydihy-droflavonol
- Name En
- Pubchem Id
- 11500888
- Smiles Canonical
- COC1=CC(=CC2=C1C(=O)C(C(O2)C3=C(C=C(C=C3)O)OC)O)O
- Molecular Formula
- C17H16O7
- Molecular Weight
- 332.3080
- Inchikey
- RMRYFAKOWGKOQX-DLBZAZTESA-N
- Inchi
- InChI=1S/C17H16O7/c1-22-11-5-8(18)3-4-10(11)17-16(21)15(20)14-12(23-2)6-9(19)7-13(14)24-17/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7923
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3R)-4',7-Dihydroxy-2',5-Dimethoxydihy-Droflavonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R)-4',7-Dihydroxy-2',5-dimethoxydihydroflavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R)-4,7-Dihydroxy-2',5-dimethoxy-dihydroflavonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3r)-4',7-dihydroxy-2',5-dimethoxydihy-droflavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3r)-4',7-dihydroxy-2',5-dimethoxydihy-droflavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
构棘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GOU JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-4',7-Dihydroxy-2',5-dimethoxydihydroflavonol(2R,3R)-4,7-Dihydroxy-2',5-dimethoxy-dihydroflavonol构棘GOU JI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006409
Tcmid
5825
Sym Map
SMIT19760
Pub Chem
11500888
Tcmbank
TCMBANKIN024545
Etcm Ingredient
(2R,3R)-4,7-Dihydroxy-2',5-dimethoxy-dihydroflavonol
Itcmdb Generated
ITX-INGREDIENT-13BFDB628FF4ITX-INGREDIENT-743DA1C115CAITX-INGREDIENT-AC686808D1C7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O7/c1-22-11-5-8(18)3-4-10(11)17-16(21)15(20)14-12(23-2)6-9(19)7-13(14)24-17/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1
Mol Wt
332.308
Mol Log P
1.7923
Version
v2
In Ch Ikey
RMRYFAKOWGKOQX-DLBZAZTESA-N
Suppress
0
Tcm Name
构棘
Tcm Name2
GOU JI
Mol2 Path
/TCM_database/2007_3d_all/05826.mol2
Reference
5338
Num Hdonors
3
Drug Likeness
0.787
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)OC)O)O
Canonical Smiles
COC1=CC(=CC2=C1C(=O)C(C(O2)C3=C(C=C(C=C3)O)OC)O)O
Molecular Weight
332.090
Molecular Formula
C17H16O7
Molecular Formula
C17H16O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.137
Quantitative Estimate Of Drug Likeness（Qed）
0.787