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
- 4584
- Core Entity Id
- 8285
- Source Entity Count
- 1
- Preferred Name
- 3-methoxy-1h-quinazoline-2,4-dione
- Name En
- Pubchem Id
- 303855
- Smiles Canonical
- CON1C(=O)C2=CC=CC=C2NC1=O
- Molecular Formula
- C9H8N2O3
- Molecular Weight
- 192.1740
- Inchikey
- AUHDNNHRDJYDDO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8N2O3/c1-14-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)
- Isomeric Smiles
- CON1C(=O)C2=CC=CC=C2NC1=O
- Cas Id
- 41120-18-7
- Ob Score
- 40.8090
- Mol Logp
- -0.2518
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methoxy-1H-Quinazoline-2,4-Dione
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methoxy-1H-Quinazoline-2,4-Dione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methoxy-1H-quinazoline-2,4-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-methoxy-1h-quinazoline-2,4-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-methoxy-1h-quinazoline-2,4-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4(1H,3H)-Quinazolinedione, 3-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
2,4(1H,3H)-Quinazolinedione, 3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4(1H,3H)-Quinazolinedione, 3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methoxy-2,3H)-quinazolinedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methoxy-2,3H)-quinazolinedione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methoxy-2,4(1H,3H)-quinazolinedione
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methoxyquinazoline-2,4(1H,3H)-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methoxyquinazoline-2,4(1H,3H)-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-1H-quinazoline-2,4-quinone
Role
alias
Source
TCMBank
Preferred
No
Name
41120-18-7
Role
alias
Source
HERB_v2
Preferred
No
Name
41120-18-7
Role
alias
Source
TCMBank
Preferred
No
Name
41120-18-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AUHDNNHRDJYDDO-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
AUHDNNHRDJYDDO-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00307647
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00307647
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC193560
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC193560
Role
alias
Source
TCMBank
Preferred
No
Name
NSC193560
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6645754
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6645754
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4(1H,3H)-Quinazolinedione, 3-methoxy-3-Methoxy-2,3H)-quinazolinedione3-Methoxy-2,4(1H,3H)-quinazolinedione3-Methoxyquinazoline-2,4(1H,3H)-dione3-methoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione3-methoxy-1H-quinazoline-2,4-quinone41120-18-7AUHDNNHRDJYDDO-UHFFFAOYSA-NDTXSID00307647NSC193560SCHEMBL6645754
Cross References
Trusted external identifiers retained for this final record.
Cas
41120-18-7
Herb
HBIN008787
Tcmsp
MOL012382
Sym Map
SMIT13140
Pub Chem
303855
Tcmbank
TCMBANKIN015838
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H8N2O3/c1-14-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)
Mol Wt
192.174
Cas Id
41120-18-7
Smiles
CON1C(=O)C2=CC=CC=C2NC1=O
Mol Log P
-0.2518
Version
v1
In Ch Ikey
AUHDNNHRDJYDDO-UHFFFAOYSA-N
Ob Score
40.80940.8093840.8093803
Suppress
1
Num Hdonors
1
Drug Likeness
0.677
Num Hacceptors
4
Isomeric Smiles
CON1C(=O)C2=CC=CC=C2NC1=O
Molecule Weight
192.19
Canonical Smiles
CON1C(=O)C2=CC=CC=C2NC1=O
Herb Alias Names
41120-18-73-Methoxyquinazoline-2,4(1H,3H)-dione3-methoxy-1,2,3,4-tetrahydroquinazoline-2,4-dioneNSC1935602,4(1H,3H)-Quinazolinedione, 3-methoxy-SCHEMBL6645754DTXSID00307647AUHDNNHRDJYDDO-UHFFFAOYSA-N3-Methoxy-2,3H)-quinazolinedione
Molecular Weight
192.17
Molecular Formula
C9H8N2O3
Molecular Formula
C9H8N2O3
Num Rotatable Bonds
1