Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 363
- Core Entity Id
- 3471
- Source Entity Count
- 1
- Preferred Name
- 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone
- Name En
- Pubchem Id
- 5272653
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- HIXDQWDOVZUNNA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
- Cas Id
- 29080-58-8
- Ob Score
- 29.2440
- Mol Logp
- 3.1914
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(3,4-Dimethoxyphenyl)-5-Hydroxy-7-Methoxy-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
29080-58-8
Role
alias
Source
HERB_v2
Preferred
No
Name
29080-58-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-3',4',7-trimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-3',4',7-trimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7,3',4'-trimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-7,3',4'-trimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3',4'-tri-O-methylluteolin
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3',4'-tri-O-methylluteolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gonzalitosin I
Role
alias
Source
HERB_v2
Preferred
No
Name
Gonzalitosin I
Role
alias
Source
itcmdb_public
Preferred
No
Name
LXU4UA4TVC
Role
alias
Source
HERB_v2
Preferred
No
Name
LXU4UA4TVC
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 7,3',4'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 7,3',4'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin- 3',4',7-Trimethyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
luteolin- 3',4',7-trimethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-7,3',4'-trimethoxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-218320
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one29080-58-84H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-5-Hydroxy-3',4',7-trimethoxyflavone5-Hydroxy-7,3',4'-trimethoxyflavone7,3',4'-tri-O-methylluteolinGonzalitosin ILXU4UA4TVCLuteolin 7,3',4'-trimethyl etherLuteolin- 3',4',7-Trimethyl Ether2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-chromenoneAIDS-218320
Cross References
Trusted external identifiers retained for this final record.
Cas
29080-58-8
Herb
HBIN003888HBIN011639HBIN033804
Npass
NPC195202
Tcmid
107914124042914
Tcmsp
MOL003096
Sym Map
SMIT05230SMIT25135
Pub Chem
5272653
Tcmbank
TCMBANKIN061491
Etcm Ingredient
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone
Itcmdb Generated
ITX-INGREDIENT-A8AC2A71F401ITX-INGREDIENT-C84C79479B94
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3
Mol Wt
328.3200000000001
Cas Id
29080-58-8
Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
Mol Log P
3.191400000000002
Version
v1,v2
In Ch Ikey
HIXDQWDOVZUNNA-UHFFFAOYSA-N
Ob Score
29.24429.24421715
Suppress
0
Num Hdonors
1
Drug Likeness
0.792
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
Molecule Weight
328.34
Canonical Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
Herb Alias Names
29080-58-85-Hydroxy-3',4',7-trimethoxyflavone7,3',4'-tri-O-methylluteolinGonzalitosin I2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-LXU4UA4TVC5-Hydroxy-7,3',4'-trimethoxyflavoneLuteolin 7,3',4'-trimethyl ether
Molecular Weight
328.090
Molecular Weight
328.3 g/mol
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.451
Quantitative Estimate Of Drug Likeness（Qed）
0.792