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
- 6590
- Core Entity Id
- 10503
- Source Entity Count
- 1
- Preferred Name
- 5,6-dimethoxy-n-methylphthalimide
- Name En
- 5,6-Dimethoxy-N-methylphthalimide
- Pubchem Id
- 3451419
- Smiles Canonical
- CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC
- Molecular Formula
- C11H11NO4
- Molecular Weight
- 221.2120
- Inchikey
- SKOVIDPQCPGGOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO4/c1-12-10(13)6-4-5-7(15-2)9(16-3)8(6)11(12)14/h4-5H,1-3H3
- Isomeric Smiles
- CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.9296
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6-Dimethoxy-N-methylphthalimide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6-Dimethoxy-N-methylphthalimide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6-dimethoxy-n-methylphthalimide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,6-dimethoxy-n-methylphthalimide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
睡莲叶桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUI LIAN YE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sleeping Lotusleaftung
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
AKOS024406522
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS024406522
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
睡莲叶桐SHUI LIAN YE TONGSleeping LotusleaftungAKOS024406522
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011144
Tcmid
6267
Pub Chem
3451419
Tcmbank
TCMBANKIN049624
Etcm Ingredient
5,6-Dimethoxy-N-methylphthalimide
Itcmdb Generated
ITX-INGREDIENT-479DDD223D76
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H11NO4/c1-12-10(13)6-4-5-7(15-2)9(16-3)8(6)11(12)14/h4-5H,1-3H3
Mol Wt
221.212
Mol Log P
0.9296
In Ch Ikey
SKOVIDPQCPGGOF-UHFFFAOYSA-N
Tcm Name
睡莲叶桐
Tcm Name2
SHUI LIAN YE TONG
Mol2 Path
/TCM_database/2007_3d_all/06268.mol2
Reference
1521, 3792
Num Hdonors
0
Tcm Name En
Sleeping Lotusleaftung
Drug Likeness
0.697
Num Hacceptors
4
Isomeric Smiles
CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC
Canonical Smiles
CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC
Herb Alias Names
AKOS024406522
Molecular Weight
221.070
Molecular Weight
221.21 g/mol
Molecular Formula
C11H11NO4
Molecular Formula
C11H11NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.697