Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6987
- Core Entity Id
- 10947
- Source Entity Count
- 1
- Preferred Name
- 5-hydroxy-7,2',3'-trimethoxyflavone
- Name En
- Pubchem Id
- 12135219
- Smiles Canonical
- COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- UQCFFWBHEHCUQF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-9,19H,1-3H3
- Isomeric Smiles
- COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
- Cas Id
- Ob Score
- 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
5-Hydroxy-7,2',3'-Trimethoxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-Hydroxy-7,2',3'-Trimethoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-Hydroxy-7,2',3'-trimethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Hydroxy-7,2',3'-trimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-7,2',3'-trimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-hydroxy-7,2',3'-trimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
穿心莲
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUAN XIN LIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Andrographis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
SCHEMBL26679497
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL26679497
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
穿心莲CHUAN XIN LIANCommon AndrographisSCHEMBL26679497
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011635
Npass
NPC132982
Tcmid
10792
Sym Map
SMIT15921
Pub Chem
12135219
Tcmbank
TCMBANKIN043720
Etcm Ingredient
5-Hydroxy-7,2',3'-trimethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-19937E3CBAE0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-9,19H,1-3H3
Mol Wt
328.3200000000001
Mol Log P
3.191400000000002
Version
v1,v2
In Ch Ikey
UQCFFWBHEHCUQF-UHFFFAOYSA-N
Suppress
0
Tcm Name
穿心莲
Tcm Name2
CHUAN XIN LIAN
Mol2 Path
/TCM_database/2007_3d_all/10793.mol2
Reference
3841
Num Hdonors
1
Tcm Name En
Common Andrographis
Drug Likeness
0.792
Num Hacceptors
6
Isomeric Smiles
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
Canonical Smiles
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
Herb Alias Names
SCHEMBL26679497
Molecular Weight
328.090
Molecular Weight
328.3 g/mol
Molecule Formula
C18H16O6
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.377
Quantitative Estimate Of Drug Likeness（Qed）
0.792