Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 7Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2523
- Core Entity Id
- 5992
- Source Entity Count
- 1
- Preferred Name
- (2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
- Name En
- Pubchem Id
- 57404335
- Smiles Canonical
- COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)OC)O
- Molecular Formula
- C18H18O6
- Molecular Weight
- 330.3360
- Inchikey
- WXOQEHYPPLFAFZ-QZTJIDSGSA-N
- Inchi
- InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,17-18,20H,1-3H3/t17-,18-/m1/s1
- Isomeric Smiles
- COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C3=C(O2)C=C(C=C3OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3897
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.9280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3R)-(+)-4',5,7-Trimethoxydihydroflavonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r,3r)-(+)-4',5,7-trimethoxydihydroflavonol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-(+)-4',5,7-Trimethoxydihydroflavonol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006408
Tcmid
2189332138
Pub Chem
57404335
Tcmbank
TCMBANKIN003669
Etcm Ingredient
(2R,3R)-(+)-4',5,7-Trimethoxydihydroflavonol
Itcmdb Generated
ITX-INGREDIENT-DB42674BD576
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,17-18,20H,1-3H3/t17-,18-/m1/s1
Mol Wt
330.3360000000001
Smiles
COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)OC)O
Mol Log P
2.389700000000001
In Ch Ikey
WXOQEHYPPLFAFZ-QZTJIDSGSA-N
Num Hdonors
1
Drug Likeness
0.928
Num Hacceptors
6
Isomeric Smiles
COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C3=C(O2)C=C(C=C3OC)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O
Molecular Weight
330.110
Molecular Formula
C18H18O6
Molecular Formula
C18H18O6
Molecular Formula
C18H18O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.043
Quantitative Estimate Of Drug Likeness（Qed）
0.928