Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5614
- Core Entity Id
- 9430
- Source Entity Count
- 1
- Preferred Name
- 4',5',7-trimethyl-3-methoxyflavone
- Name En
- Pubchem Id
- 170995224
- Smiles Canonical
- CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)C)C)OC
- Molecular Formula
- C19H18O3
- Molecular Weight
- 294.3500
- Inchikey
- CCMSGIILOGQMSN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O3/c1-11-5-8-15-16(9-11)22-18(19(21-4)17(15)20)14-7-6-12(2)13(3)10-14/h5-10H,1-4H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)C)C)OC
- Cas Id
- Ob Score
- 40.6570
- Mol Logp
- 4.3939
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4',5',7-Trimethyl-3-Methoxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4',5',7-Trimethyl-3-Methoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4',5',7-trimethyl-3-methoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4',5',7-trimethyl-3-methoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4',5',7-trimethyl-3-methoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4',5',7-trimethyl-3-methoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009990
Tcmsp
MOL002963
Sym Map
SMIT05110
Pub Chem
170995224
Tcmbank
TCMBANKIN034206
Etcm Ingredient
4',5',7-trimethyl-3-methoxyflavone
Itcmdb Generated
ITX-INGREDIENT-3786EFE4FC84
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H18O3/c1-11-5-8-15-16(9-11)22-18(19(21-4)17(15)20)14-7-6-12(2)13(3)10-14/h5-10H,1-4H3
Mol Wt
294.35
Mol Log P
4.393860000000004
Version
v1,v2
In Ch Ikey
CCMSGIILOGQMSN-UHFFFAOYSA-N
Ob Score
40.65740.65743740.65743721
Suppress
0
Num Hdonors
0
Drug Likeness
0.703
Num Hacceptors
3
Isomeric Smiles
CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)C)C)OC
Molecule Weight
294.37
Canonical Smiles
CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)C)C)OC
Molecular Weight
294.130
Molecular Weight
294.37
Molecular Formula
C19H18O3
Molecular Formula
C19H18O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.754
Quantitative Estimate Of Drug Likeness（Qed）
0.703