Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Meta-analysis: 12Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22119
- Core Entity Id
- 27770
- Source Entity Count
- 1
- Preferred Name
- Indomethacin
- Name En
- Pubchem Id
- 3715
- Smiles Canonical
- CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
- Molecular Formula
- C19H16ClNO4
- Molecular Weight
- 357.7930
- Inchikey
- CGIGDMFJXJATDK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
- Isomeric Smiles
- CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9273
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Indomethacin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Indomethacin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
indomethacin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
53-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
53-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indocid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indocid
Role
alias
Source
HERB_v2
Preferred
No
Name
Indocin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indocin
Role
alias
Source
HERB_v2
Preferred
No
Name
Indometacine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indometacine
Role
alias
Source
HERB_v2
Preferred
No
Name
Indomethacine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indomethacine
Role
alias
Source
HERB_v2
Preferred
No
Name
Indomethazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indomethazine
Role
alias
Source
HERB_v2
Preferred
No
Name
Metindol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Metindol
Role
alias
Source
HERB_v2
Preferred
No
Name
Reumacide
Role
alias
Source
HERB_v2
Preferred
No
Name
Reumacide
Role
alias
Source
itcmdb_public
Preferred
No
Name
indometacin
Role
alias
Source
HERB_v2
Preferred
No
Name
indometacin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
53-86-1IndocidIndocinIndometacineIndomethacineIndomethazineMetindolReumacideindometacin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030127
Npass
NPC331672
Tcm Id
14037140381403914040
Pub Chem
3715
Tcmbank
TCMBANKIN026639
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
Mol Wt
357.7930000000002
Smiles
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Mol Log P
3.927320000000003
In Ch Ikey
CGIGDMFJXJATDK-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.768
Num Hacceptors
4
Isomeric Smiles
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Canonical Smiles
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Herb Alias Names
53-86-1indometacinIndocinIndomethacineIndometacineIndocidReumacideIndomethazineMetindol
Molecular Weight
357.8 g/mol
Molecular Formula
C19H16ClNO4
Molecular Formula
C19H16ClNO4
Num Rotatable Bonds
4