Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9361
- Core Entity Id
- 13572
- Source Entity Count
- 1
- Preferred Name
- Acanthifoline
- Name En
- Pubchem Id
- 5317597
- Smiles Canonical
- CC1C2=C(CC(=O)N1)C(=CN=C2)C
- Molecular Formula
- C10H12N2O
- Molecular Weight
- 176.2190
- Inchikey
- NUJFYQDHTBBYKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12N2O/c1-6-4-11-5-9-7(2)12-10(13)3-8(6)9/h4-5,7H,3H2,1-2H3,(H,12,13)
- Isomeric Smiles
- CC1C2=C(CC(=O)N1)C(=CN=C2)C
- Cas Id
- Ob Score
- Mol Logp
- 1.1233
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acanthifoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Acanthifoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Acanthifoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Acanthifoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
老鼠簕
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LAO SHU LE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hollyleaf Acanthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
老鼠簕LAO SHU LEHollyleaf Acanthus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014339
Npass
NPC224225
Tcmid
77
Pub Chem
5317597
Tcmbank
TCMBANKIN045353
Etcm Ingredient
Acanthifoline
Itcmdb Generated
ITX-INGREDIENT-769BC2DCC5F8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12N2O/c1-6-4-11-5-9-7(2)12-10(13)3-8(6)9/h4-5,7H,3H2,1-2H3,(H,12,13)
Mol Wt
176.219
Mol Log P
1.12332
In Ch Ikey
NUJFYQDHTBBYKQ-UHFFFAOYSA-N
Tcm Name
老鼠簕
Tcm Name2
LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/00077.mol2
Reference
2080
Num Hdonors
1
Tcm Name En
Hollyleaf Acanthus
Drug Likeness
0.643
Num Hacceptors
2
Isomeric Smiles
CC1C2=C(CC(=O)N1)C(=CN=C2)C
Canonical Smiles
CC1C2=C(CC(=O)N1)C(=CN=C2)C
Molecular Weight
176.090
Molecular Formula
C10H12N2O
Molecular Formula
C10H12N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.961
Quantitative Estimate Of Drug Likeness（Qed）
0.643