Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22116
- Core Entity Id
- 27767
- Source Entity Count
- 1
- Preferred Name
- Indolizine
- Name En
- Pubchem Id
- 9230
- Smiles Canonical
- C1=CC2=CC=CN2C=C1
- Molecular Formula
- C8H7N
- Molecular Weight
- 117.1510
- Inchikey
- HOBCFUWDNJPFHB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H7N/c1-2-6-9-7-3-5-8(9)4-1/h1-7H
- Isomeric Smiles
- C1=CC2=CC=CN2C=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.9393
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Indolizine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Indolizine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
indolizine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
indolizine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
274-40-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
274-40-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Azaindene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Azaindene
Role
alias
Source
HERB_v2
Preferred
No
Name
B48FMH8YFQ
Role
alias
Source
HERB_v2
Preferred
No
Name
B48FMH8YFQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indolizin
Role
alias
Source
HERB_v2
Preferred
No
Name
Indolizin
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00030189
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00030189
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrocolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrocolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrocoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrocoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolo(1,2-a)pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolo[1,2-a]pyridine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
274-40-84-AzaindeneB48FMH8YFQIndolizinMFCD00030189PyrrocolinPyrrocolinePyrrolo(1,2-a)pyridinePyrrolo[1,2-a]pyridine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030123
Tcmid
33747
Pub Chem
9230
Tcmbank
TCMBANKIN028680
Etcm Ingredient
indolizine
Itcmdb Generated
ITX-INGREDIENT-72FF86EB4161
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H7N/c1-2-6-9-7-3-5-8(9)4-1/h1-7H
Mol Wt
117.151
Smiles
C1=CC2=CC=CN2C=C1
Mol Log P
1.9393
In Ch Ikey
HOBCFUWDNJPFHB-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.496
Num Hacceptors
1
Isomeric Smiles
C1=CC2=CC=CN2C=C1
Canonical Smiles
C1=CC2=CC=CN2C=C1
Herb Alias Names
274-40-8Pyrrolo[1,2-a]pyridinePyrrocolineIndolizinPyrrocolin4-AzaindenePyrrolo(1,2-a)pyridineB48FMH8YFQMFCD00030189
Molecular Weight
117.060
Molecular Weight
117.15 g/mol
Molecular Formula
C8H7N
Molecular Formula
C8H7N
Molecular Formula
C8H7N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.766
Quantitative Estimate Of Drug Likeness（Qed）
0.496