Relationship Network
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6691
- Core Entity Id
- 10616
- Source Entity Count
- 1
- Preferred Name
- 5,7-dihydroxy-3',4',5'-trimethoxyflavon
- Name En
- Pubchem Id
- 5379265
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
- Molecular Formula
- C18H16O7
- Molecular Weight
- 344.3190
- Inchikey
- CPCPHNWWTJLXKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
- Cas Id
- 18103-42-9
- Ob Score
- 46.0140
- Mol Logp
- 2.8970
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-Dihydroxy-3',4',5'-Trimethoxyflavon
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7-Dihydroxy-3',4',5'-trimethoxyflavon
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-dihydroxy-3',4',5'-trimethoxyflavon
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dihydroxy-3',4',5'-trimethoxyflavon
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
18103-42-9
Role
alias
Source
HERB_v2
Preferred
No
Name
18103-42-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',5'-O-trimethyltricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4',5'-O-trimethyltricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavone, 5,7-dihydroxy-3',4',5'-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavone, 5,7-dihydroxy-3',4',5'-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-123410
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-123410
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricin 4'-Methyl Ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricin 4'-Methyl Ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
tricetin 3',4',5'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
tricetin 3',4',5'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-3',4',5'-trimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
18103-42-93',4',5'-O-trimethyltricetin4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone5,7-Dihydroxy-3',4',5'-trimethoxyflavone5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-oneFlavone, 5,7-dihydroxy-3',4',5'-trimethoxy-NSC-123410Tricin 4'-Methyl Ethertricetin 3',4',5'-trimethyl ether
Cross References
Trusted external identifiers retained for this final record.
Cas
18103-42-9
Herb
HBIN011275HBIN011276
Npass
NPC62536
Tcmsp
MOL010864
Sym Map
SMIT11838
Tcm Id
7711
Pub Chem
5379265
Tcmbank
TCMBANKIN061778
Etcm Ingredient
5,7-Dihydroxy-3',4',5'-trimethoxyflavon
Itcmdb Generated
ITX-INGREDIENT-9021669544FE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
Mol Wt
344.319
Cas Id
18103-42-9
Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Mol Log P
2.897000000000002
Version
v1,v2
In Ch Ikey
CPCPHNWWTJLXKQ-UHFFFAOYSA-N
Ob Score
46.01446.01400126
Suppress
0
Num Hdonors
2
Drug Likeness
0.751
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Molecule Weight
344.34
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Herb Alias Names
5,7-Dihydroxy-3',4',5'-trimethoxyflavone18103-42-9tricetin 3',4',5'-trimethyl ether5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-oneTricin 4'-Methyl Ether3',4',5'-O-trimethyltricetin5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyroneFlavone, 5,7-dihydroxy-3',4',5'-trimethoxy-NSC-1234104H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
Molecular Weight
344.090
Molecular Weight
344.32
Molecular Formula
C18H16O7
Molecular Formula
C18H16O7
Molecular Formula
C18H16O7
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.634
Quantitative Estimate Of Drug Likeness（Qed）
0.751