Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20501
- Core Entity Id
- 25969
- Source Entity Count
- 1
- Preferred Name
- Glycocitridine
- Name En
- Pubchem Id
- 928053
- Smiles Canonical
- COC1=C(C2=C(C=C1)C(=C(C(=O)N2)C=O)OC)OC
- Molecular Formula
- C13H13NO5
- Molecular Weight
- 263.2490
- Inchikey
- VWYALKKHDZGUAU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16)
- Isomeric Smiles
- COC1=C(C2=C(C=C1)C(=C(C(=O)N2)C=O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.3664
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glycocitridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glycocitridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glycocitridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
似肉托果叶蜜茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI ROU TUO GUO YE MI ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
167504-57-6
Role
alias
Source
HERB_v2
Preferred
No
Name
167504-57-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-formyl-4,7,8-trimethoxyquinolin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-formyl-4,7,8-trimethoxyquinolin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4,7,8-trimethoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4,7,8-trimethoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030488870
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030488870
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501346620
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501346620
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_549112
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_549112
Role
alias
Source
itcmdb_public
Preferred
No
Name
STL578201
Role
alias
Source
HERB_v2
Preferred
No
Name
STL578201
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
似肉托果叶蜜茱萸SI ROU TUO GUO YE MI ZHU YU167504-57-63-formyl-4,7,8-trimethoxyquinolin-2-one4,7,8-trimethoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehydeAKOS030488870DTXSID501346620Oprea1_549112STL578201
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028147
Npass
NPC214615
Tcmid
8823
Pub Chem
928053
Tcmbank
TCMBANKIN039985
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16)
Mol Wt
263.249
Mol Log P
1.3664
In Ch Ikey
VWYALKKHDZGUAU-UHFFFAOYSA-N
Tcm Name
似肉托果叶蜜茱萸
Tcm Name2
SI ROU TUO GUO YE MI ZHU YU
Mol2 Path
/TCM_database/2007_3d_all/08824.mol2
Reference
5405
Num Hdonors
1
Drug Likeness
0.843
Num Hacceptors
5
Isomeric Smiles
COC1=C(C2=C(C=C1)C(=C(C(=O)N2)C=O)OC)OC
Canonical Smiles
COC1=C(C2=C(C=C1)C(=C(C(=O)N2)C=O)OC)OC
Herb Alias Names
167504-57-64,7,8-trimethoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehydeOprea1_549112DTXSID501346620STL578201AKOS0304888703-formyl-4,7,8-trimethoxyquinolin-2-one
Molecular Weight
263.25 g/mol
Molecular Formula
C13H13NO5
Num Rotatable Bonds
4