Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 882
- Core Entity Id
- 4175
- Source Entity Count
- 1
- Preferred Name
- 2-(4-methylphenyl)indolizine
- Name En
- Pubchem Id
- 346948
- Smiles Canonical
- CC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
- Molecular Formula
- C15H13N
- Molecular Weight
- 207.2760
- Inchikey
- DCLHWYSXBSMRRM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H13N/c1-12-5-7-13(8-6-12)14-10-15-4-2-3-9-16(15)11-14/h2-11H,1H3
- Isomeric Smiles
- CC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
- Cas Id
- 7496-81-3
- Ob Score
- 26.5370
- Mol Logp
- 3.9147
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(4-Methylphenyl)Indolizine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(4-Methylphenyl)Indolizine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(4-Methylphenyl)indolizine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(4-Methylphenyl)indolizine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(4-methylphenyl)indolizine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(4-methylphenyl)indolizine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(4-Methylphenyl)indolizine #
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-Methylphenyl)indolizine #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(P-TOLYL)INDOLIZINE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(P-TOLYL)INDOLIZINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
7496-81-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7496-81-3
Role
alias
Source
TCMBank
Preferred
No
Name
7496-81-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
ChemDiv3_014091
Role
alias
Source
HERB_v2
Preferred
No
Name
ChemDiv3_014091
Role
alias
Source
TCMBank
Preferred
No
Name
ChemDiv3_014091
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10323974
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10323974
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS1513A11
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS1513A11
Role
alias
Source
itcmdb_public
Preferred
No
Name
IDI1_029889
Role
alias
Source
TCMBank
Preferred
No
Name
Indolizine, 2-(4-methylphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Indolizine,2-(4-methylphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Indolizine,2-(4-methylphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC405330
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC405330
Role
alias
Source
TCMBank
Preferred
No
Name
NSC405330
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL873426
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL873426
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5451457
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(4-Methylphenyl)indolizine #2-(P-TOLYL)INDOLIZINE7496-81-3ChemDiv3_014091DTXSID10323974HMS1513A11IDI1_029889Indolizine, 2-(4-methylphenyl)-Indolizine,2-(4-methylphenyl)-NSC405330SCHEMBL873426ST5451457
Cross References
Trusted external identifiers retained for this final record.
Cas
7496-81-3
Herb
HBIN004476
Tcmsp
MOL012871
Sym Map
SMIT13597
Pub Chem
346948
Tcmbank
TCMBANKIN018024
Etcm Ingredient
2-(4-Methylphenyl)indolizine
Itcmdb Generated
ITX-INGREDIENT-185835CD5FB4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H13N/c1-12-5-7-13(8-6-12)14-10-15-4-2-3-9-16(15)11-14/h2-11H,1H3
Mol Wt
207.276
Cas Id
7496-81-3
Smiles
CC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
Mol Log P
3.914720000000002
Version
v1,v2
In Ch Ikey
DCLHWYSXBSMRRM-UHFFFAOYSA-N
Ob Score
26.53726.5374995626.5375
Suppress
0
Num Hdonors
0
Drug Likeness
0.569
Num Hacceptors
1
Isomeric Smiles
CC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
Molecule Weight
207.29
Canonical Smiles
CC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
Herb Alias Names
7496-81-32-(P-TOLYL)INDOLIZINEIndolizine,2-(4-methylphenyl)-NSC405330ChemDiv3_014091SCHEMBL8734262-(4-Methylphenyl)indolizine #DTXSID10323974HMS1513A11
Molecular Weight
207.100
Molecular Weight
207.27
Molecular Formula
C15H13N
Molecular Formula
C15H13N
Molecular Formula
C15H13N
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.569