Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12016
- Core Entity Id
- 16523
- Source Entity Count
- 1
- Preferred Name
- Baogongteng c
- Name En
- Pubchem Id
- 102004951
- Smiles Canonical
- C1CC(C2CC(C1N2)O)O
- Molecular Formula
- C7H13NO2
- Molecular Weight
- 143.1860
- Inchikey
- SZGXZOVMAQJBDE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H13NO2/c9-6-2-1-4-7(10)3-5(6)8-4/h4-10H,1-3H2
- Isomeric Smiles
- C1CC(C2CC(C1N2)O)O
- Cas Id
- 107259-50-7
- Ob Score
- 66.4829
- Mol Logp
- -0.7675
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Baogongteng C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Baogongteng C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Baogongteng c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Baogongteng c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
baogongteng C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
baogongteng C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
107259-50-7
Role
alias
Source
HERB_v2
Preferred
No
Name
107259-50-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Azabicyclo[3.2.1]octane-2,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Azabicyclo[3.2.1]octane-2,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
107259-50-78-Azabicyclo[3.2.1]octane-2,6-diol
Cross References
Trusted external identifiers retained for this final record.
Cas
107259-50-7
Herb
HBIN017573
Tcmsp
MOL000218
Sym Map
SMIT02865
Pub Chem
10200495114447042
Tcmbank
TCMBANKIN024655
Etcm Ingredient
baogongteng C
Itcmdb Generated
ITX-INGREDIENT-D9A0EF5D16AC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H13NO2/c9-6-2-1-4-7(10)3-5(6)8-4/h4-10H,1-3H2
Mol Wt
143.186
Cas Id
107259-50-7
Smiles
C1CC(C2CC(C1N2)O)O
Mol Log P
-0.7674999999999998
Version
v1,v2
In Ch Ikey
SZGXZOVMAQJBDE-UHFFFAOYSA-N
Ob Score
66.4829068666.48290766.483
Suppress
0
Num Hdonors
3
Drug Likeness
0.417
Num Hacceptors
3
Isomeric Smiles
C1CC(C2CC(C1N2)O)O
Molecule Weight
143.21
Canonical Smiles
C1CC(C2CC(C1N2)O)O
Herb Alias Names
8-Azabicyclo[3.2.1]octane-2,6-diol107259-50-7
Molecular Weight
143.090
Molecular Weight
143.18
Molecular Formula
C7H13NO2
Molecular Formula
C7H13NO2
Molecular Formula
C7H13NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.278
Quantitative Estimate Of Drug Likeness（Qed）
0.417