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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33218
- Core Entity Id
- 40116
- Source Entity Count
- 1
- Preferred Name
- Shihunidine
- Name En
- Pubchem Id
- 195809
- Smiles Canonical
- CN1CCCC12C3=CC=CC=C3C(=O)N2
- Molecular Formula
- C12H14N2O
- Molecular Weight
- 202.2570
- Inchikey
- LTUZVVOPXHMYOH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H14N2O/c1-14-8-4-7-12(14)10-6-3-2-5-9(10)11(15)13-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)
- Isomeric Smiles
- CN1CCCC12C3=CC=CC=C3C(=O)N2
- Cas Id
- Ob Score
- Mol Logp
- 1.3084
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shihunidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Shihunidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Shihunidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Shihunidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
shihunidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1'-METHYL-2H-SPIRO[ISOINDOLE-1,2'-PYRROLIDINE]-3-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
1'-Methylspiro[isoindole-1,2'-pyrrolidin]-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1'-Methylspiro[isoindole-1,2'-pyrrolidin]-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1'-methylspiro[isoindole-1,2'-pyrrolidin]-3(2h)-one
Role
alias
Source
TCMBank
Preferred
No
Name
135626-84-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
135626-84-5
Role
alias
Source
HERB_v2
Preferred
No
Name
135626-84-5
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L50MV
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q6JBV
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-20cshx
Role
alias
Source
TCMBank
Preferred
No
Name
CTK4B9906
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40929089
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40929089
Role
alias
Source
itcmdb_public
Preferred
No
Name
Shihunidine
Role
alias
Source
TCMBank
Preferred
No
Name
Spiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Spiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiro[1H-isoindole-1,2'-pyrrolidin]-3(2H)-one,1'-methyl- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1'-METHYL-2H-SPIRO[ISOINDOLE-1,2'-PYRROLIDINE]-3-ONE1'-Methylspiro[isoindole-1,2'-pyrrolidin]-3-ol1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one1'-methylspiro[isoindole-1,2'-pyrrolidin]-3(2h)-one135626-84-5AC1L50MVAC1Q6JBVACMC-20cshxCTK4B9906DTXSID40929089Spiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-Spiro[1H-isoindole-1,2'-pyrrolidin]-3(2H)-one,1'-methyl- (9CI)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043879
Npass
NPC30818
Tcmid
19787
Sym Map
SMIT17693
Tcm Id
992
Pub Chem
195809
Tcmbank
TCMBANKIN013517
Etcm Ingredient
Shihunidine
Itcmdb Generated
ITX-INGREDIENT-856B43651543
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H14N2O/c1-14-8-4-7-12(14)10-6-3-2-5-9(10)11(15)13-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)
Mol Wt
202.257
Smiles
CN1CCCC12C3=CC=CC=C3C(=O)N2
Mol Log P
1.3084
Version
v1,v2
In Ch Ikey
LTUZVVOPXHMYOH-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.688
Num Hacceptors
2
Isomeric Smiles
CN1CCCC12C3=CC=CC=C3C(=O)N2
Canonical Smiles
CN1CCCC12C3=CC=CC=C3C(=O)N2
Herb Alias Names
135626-84-51'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-oneSpiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-DTXSID409290891'-Methylspiro[isoindole-1,2'-pyrrolidin]-3-ol
Molecular Weight
202.110
Molecular Weight
202.25 g/mol
Molecular Formula
C12H14N2O
Molecular Formula
C12H14N2O
Molecular Formula
C12H14N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.744
Quantitative Estimate Of Drug Likeness（Qed）
0.688