Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8776
- Core Entity Id
- 12922
- Source Entity Count
- 1
- Preferred Name
- 8-azabicyclo[5.1.0]octane
- Name En
- Pubchem Id
- 544549
- Smiles Canonical
- C1CCC2C(N2)CC1
- Molecular Formula
- C7H13N
- Molecular Weight
- 111.1880
- Inchikey
- YEHCKZHFJYGXMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H13N/c1-2-4-6-7(8-6)5-3-1/h6-8H,1-5H2
- Isomeric Smiles
- C1CCC2C(N2)CC1
- Cas Id
- 286-44-2
- Ob Score
- 31.5689
- Mol Logp
- 1.2909
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Azabicyclo[5.1.0]Octane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Azabicyclo[5.1.0]Octane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-azabicyclo[5.1.0]octane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-azabicyclo[5.1.0]octane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-azabicyclo[5.1.0]octane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-azabicyclo[5.1.0]octane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
286-44-2
Role
alias
Source
HERB_v2
Preferred
No
Name
286-44-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006221003
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006221003
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cycloheptenimine
Role
alias
Source
HERB_v2
Preferred
No
Name
Cycloheptenimine
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90337756
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90337756
Role
alias
Source
itcmdb_public
Preferred
No
Name
EN300-43896
Role
alias
Source
HERB_v2
Preferred
No
Name
EN300-43896
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9679872
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9679872
Role
alias
Source
HERB_v2
Preferred
No
Name
YEHCKZHFJYGXMS-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
YEHCKZHFJYGXMS-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
286-44-2AKOS006221003CycloheptenimineDTXSID90337756EN300-43896SCHEMBL9679872YEHCKZHFJYGXMS-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Cas
286-44-2
Herb
HBIN013647
Tcmsp
MOL013299
Sym Map
SMIT13969
Pub Chem
544549
Tcmbank
TCMBANKIN034407
Etcm Ingredient
8-azabicyclo[5.1.0]octane
Itcmdb Generated
ITX-INGREDIENT-16592D8A6011
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H13N/c1-2-4-6-7(8-6)5-3-1/h6-8H,1-5H2
Mol Wt
111.188
Cas Id
286-44-2
Smiles
C1CCC2C(N2)CC1
Mol Log P
1.2909
Version
v1,v2
In Ch Ikey
YEHCKZHFJYGXMS-UHFFFAOYSA-N
Ob Score
31.5689431.5689400231.569
Suppress
0
Num Hdonors
1
Drug Likeness
0.467
Num Hacceptors
1
Isomeric Smiles
C1CCC2C(N2)CC1
Molecule Weight
111.21
Canonical Smiles
C1CCC2C(N2)CC1
Herb Alias Names
286-44-2CycloheptenimineSCHEMBL9679872DTXSID90337756YEHCKZHFJYGXMS-UHFFFAOYSA-NAKOS006221003EN300-43896
Molecular Weight
111.100
Molecular Weight
111.18
Molecular Formula
C7H13N
Molecular Formula
C7H13N
Molecular Formula
C7H13N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.794
Quantitative Estimate Of Drug Likeness（Qed）
0.467