Relationship Network
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8462
- Core Entity Id
- 12575
- Source Entity Count
- 1
- Preferred Name
- 7-methoxy-2-methyl isoflavone
- Name En
- Pubchem Id
- 354368
- Smiles Canonical
- CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
- Molecular Formula
- C17H14O3
- Molecular Weight
- 266.2960
- Inchikey
- XRGWZIGGCNSFRY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
- Isomeric Smiles
- CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
- Cas Id
- 19725-44-1
- Ob Score
- 42.5647
- Mol Logp
- 3.7770
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Methoxy-2-Methyl Isoflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Methoxy-2-Methyl Isoflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Methoxy-2-methyl isoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-Methoxy-2-methyl isoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-methoxy-2-methyl isoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-methoxy-2-methyl isoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
GUAN GUO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
19725-44-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
19725-44-1
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-benzopyran-4-one, 7-methoxy-2-methyl-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-benzopyran-4-one, 7-methoxy-2-methyl-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-2-methyl-3-phenyl-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-2-methylisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-2-methylisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-2-methyl isoflavone
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-2-methyl-3-phenyl-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-2-methyl-3-phenyl-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-2-methyl-3-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-2-methyl-3-phenylchromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-130588
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000556973
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001048849
Role
alias
Source
TCMBank
Preferred
No
Name
NSC605906
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC605906
Role
alias
Source
TCMBank
Preferred
No
Name
NSC605906
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_144261
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_144261
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_144261
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_185553
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_185553
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_185553
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000148090
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000148090
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000148090
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5071001
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00520945
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
GUAN GUO GAN CAO19725-44-14H-1-benzopyran-4-one, 7-methoxy-2-methyl-3-phenyl-7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one7-Methoxy-2-methyl-3-phenyl-chromen-4-one7-Methoxy-2-methylisoflavone7-methoxy-2-methyl-3-phenyl-4-chromenone7-methoxy-2-methyl-3-phenyl-chromone7-methoxy-2-methyl-3-phenylchromen-4-oneAIDS-130588MLS000556973MLS001048849NSC605906Oprea1_144261Oprea1_185553SMR000148090ST5071001ZINC00520945
Cross References
Trusted external identifiers retained for this final record.
Cas
19725-44-1
Herb
HBIN013310
Npass
NPC292998
Tcmid
14018
Tcmsp
MOL003896
Sym Map
SMIT01043
Pub Chem
354368
Tcmbank
TCMBANKIN046419
Etcm Ingredient
7-Methoxy-2-methyl isoflavone
Itcmdb Generated
ITX-INGREDIENT-06324EAC567D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
Mol Wt
266.296
Cas Id
19725-44-1
Mol Log P
3.777020000000002
Version
v1,v2
In Ch Ikey
XRGWZIGGCNSFRY-UHFFFAOYSA-N
Ob Score
42.56474142.5647414842.565
Suppress
0
Tcm Name2
GUAN GUO GAN CAO
Mol2 Path
/TCM_database/2007_3d_all/14025.mol2
Reference
1296
Num Hdonors
0
Drug Likeness
0.708
Num Hacceptors
3
Isomeric Smiles
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
Molecule Weight
266.31
Canonical Smiles
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
Herb Alias Names
7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one19725-44-17-Methoxy-2-methylisoflavone7-methoxy-2-methyl-3-phenylchromen-4-one4H-1-benzopyran-4-one, 7-methoxy-2-methyl-3-phenyl-NSC6059067-Methoxy-2-methyl-3-phenyl-chromen-4-oneSMR000148090Oprea1_144261Oprea1_185553
Molecular Weight
266.090
Molecular Weight
266.29
Molecule Formula
C17H14O3
Molecular Formula
C17H14O3
Molecular Formula
C17H14O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.296
Quantitative Estimate Of Drug Likeness（Qed）
0.708