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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39521
- Core Entity Id
- 74369
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-2,3,4,7-tetramethoxyxanthone
- Name En
- Pubchem Id
- 5318358
- Smiles Canonical
- COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
- Molecular Formula
- C17H16O7
- Molecular Weight
- 332.3080
- Inchikey
- MIPXRVRWIMVNPA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O7/c1-20-8-5-6-10-9(7-8)12(18)11-13(19)15(21-2)17(23-4)16(22-3)14(11)24-10/h5-7,19H,1-4H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
- Cas Id
- 14103-09-4
- Ob Score
- 88.8608
- Mol Logp
- 2.6862
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxy-2,3,4,7-Tetramethoxyxanthone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Hydroxy-2,3,4,7-Tetramethoxyxanthone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Hydroxy-2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hydroxy-2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
花锚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA MAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Corniculate Spurgentian
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-2,3,4,7-tetramethoxy-9-xanthenone
Role
alias
Source
TCMBank
Preferred
No
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-hydroxy-2,3,4,7-tetramethoxyxanthone
Role
alias
Source
TCMBank
Preferred
No
Name
14103-09-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
14103-09-4
Role
alias
Source
HERB_v2
Preferred
No
Name
14103-09-4
Role
alias
Source
TCMBank
Preferred
No
Name
9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20161526
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20161526
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1623
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1623
Role
alias
Source
itcmdb_public
Preferred
No
Name
MIPXRVRWIMVNPA-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
MIPXRVRWIMVNPA-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
花锚HUA MAOCorniculate Spurgentian1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one1-hydroxy-2,3,4,7-tetramethoxy-9-xanthenone1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one14103-09-49H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-DTXSID20161526HY-N1623MIPXRVRWIMVNPA-UHFFFAOYSA-NXanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy-
Cross References
Trusted external identifiers retained for this final record.
Cas
14103-09-4
Herb
HBIN002612
Npass
NPC169835
Tcmid
10754
Tcmsp
MOL007966
Sym Map
SMIT09307
Pub Chem
5318358
Tcmbank
TCMBANKIN047320
Etcm Ingredient
1-Hydroxy-2,3,4,7-tetramethoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-C3EBA7584577
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O7/c1-20-8-5-6-10-9(7-8)12(18)11-13(19)15(21-2)17(23-4)16(22-3)14(11)24-10/h5-7,19H,1-4H3
Mol Wt
332.308
Cas Id
14103-09-4
Mol Log P
2.6862
Version
v1,v2
In Ch Ikey
MIPXRVRWIMVNPA-UHFFFAOYSA-N
Ob Score
88.86075588.8607552388.861
Suppress
0
Tcm Name
花锚
Tcm Name2
HUA MAO
Mol2 Path
/TCM_database/2007_3d_all/10755.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Corniculate Spurgentian
Drug Likeness
0.735
Num Hacceptors
7
Isomeric Smiles
COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
Molecule Weight
332.33
Canonical Smiles
COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
Herb Alias Names
14103-09-41-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-DTXSID20161526MIPXRVRWIMVNPA-UHFFFAOYSA-NHY-N1623
Molecular Weight
332.090
Molecular Weight
332.3
Molecular Formula
C17H16O7
Molecular Formula
C17H16O7
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.735