Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 343
- Core Entity Id
- 3247
- Source Entity Count
- 1
- Preferred Name
- 2,3,4,7-tetramethoxyxanthone
- Name En
- Pubchem Id
- 370636
- Smiles Canonical
- COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.3090
- Inchikey
- QPTYQJBRCIANSR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-19-9-5-6-12-10(7-9)14(18)11-8-13(20-2)16(21-3)17(22-4)15(11)23-12/h5-8H,1-4H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
- Cas Id
- Ob Score
- 29.2449
- Mol Logp
- 2.9806
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,4,7-Tetramethoxyxanthone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,7-Tetramethoxyxanthone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,4,7-tetramethoxy-9-xanthenone
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS-073387
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1965265
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1965265
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCI60_014913
Role
alias
Source
HERB_v2
Preferred
No
Name
NCI60_014913
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_014913
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-643978
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC643978
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC643978
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,4,7-tetramethoxy-9-xanthenone2,3,4,7-tetramethoxyxanthen-9-one9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-AIDS-073387CHEMBL1965265NCI60_014913NSC-643978NSC643978
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003863
Tcmsp
MOL004135
Sym Map
SMIT06104
Pub Chem
370636
Tcmbank
TCMBANKIN005669
Etcm Ingredient
2,3,4,7-tetramethoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-2C6D0AC10115
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O6/c1-19-9-5-6-12-10(7-9)14(18)11-8-13(20-2)16(21-3)17(22-4)15(11)23-12/h5-8H,1-4H3
Mol Wt
316.309
Smiles
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
Mol Log P
2.980600000000001
Version
v1,v2
In Ch Ikey
QPTYQJBRCIANSR-UHFFFAOYSA-N
Ob Score
29.2448905329.24489129.245
Suppress
0
Num Hdonors
0
Drug Likeness
0.689
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
Molecule Weight
316.33
Canonical Smiles
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
Herb Alias Names
NSC6439789H-Xanthen-9-one, 2,3,4,7-tetramethoxy-2,3,4,7-tetramethoxyxanthen-9-oneCHEMBL1965265NSC-643978NCI60_014913
Molecular Weight
316.090
Molecular Weight
316.3 g/mol
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.167
Quantitative Estimate Of Drug Likeness（Qed）
0.689