Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26180
- Core Entity Id
- 32290
- Source Entity Count
- 1
- Preferred Name
- Methyl carbazole-3-carboxylate
- Name En
- Pubchem Id
- 504069
- Smiles Canonical
- COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
- Molecular Formula
- C14H11NO2
- Molecular Weight
- 225.2470
- Inchikey
- LZXXHWWSVRIDGR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
- Isomeric Smiles
- COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
- Cas Id
- Ob Score
- Mol Logp
- 3.1077
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl carbazole-3-carboxylate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl carbazole-3-carboxylate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl carbazole-3-carboxylate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
硬毛小芸木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN MAO XIAO YUN MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairy Micromelum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-methoxycarbonylcarbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxycarbonylcarbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
97931-41-4
Role
alias
Source
HERB_v2
Preferred
No
Name
97931-41-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Carbazole-3-carboxylic acid, methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-carbazole-3-carboxylic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL446253
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL446253
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carbazole-3-carboxylic acid, methyl ester (6CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbazole-3-carboxylic acid, methyl ester (6CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD17214817
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD17214817
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 3-carbazolecarboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 3-carbazolecarboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 9H-carbazole-3-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 9H-carbazole-3-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
硬毛小芸木YIN MAO XIAO YUN MUHairy Micromelum*3-methoxycarbonylcarbazole97931-41-49H-Carbazole-3-carboxylic acid, methyl ester9H-carbazole-3-carboxylic acid methyl esterCHEMBL446253Carbazole-3-carboxylic acid, methyl ester (6CI)MFCD17214817Methyl 3-carbazolecarboxylateMethyl 9H-carbazole-3-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035134
Npass
NPC160381
Tcmid
14210
Pub Chem
504069
Tcmbank
TCMBANKIN048544
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
Mol Wt
225.247
Mol Log P
3.107700000000001
In Ch Ikey
LZXXHWWSVRIDGR-UHFFFAOYSA-N
Tcm Name
硬毛小芸木
Tcm Name2
YIN MAO XIAO YUN MU
Mol2 Path
/TCM_database/2007_3d_all/14217.mol2
Reference
5072, 5367
Num Hdonors
1
Tcm Name En
Hairy Micromelum*
Drug Likeness
0.646
Num Hacceptors
2
Isomeric Smiles
COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
Canonical Smiles
COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
Herb Alias Names
Methyl 3-carbazolecarboxylate97931-41-4Methyl 9H-carbazole-3-carboxylateCHEMBL4462539H-Carbazole-3-carboxylic acid, methyl esterCarbazole-3-carboxylic acid, methyl ester (6CI)Methyl 9H-carbazole-3-carboxylateMFCD172148173-methoxycarbonylcarbazole9H-carbazole-3-carboxylic acid methyl ester
Molecular Weight
225.24 g/mol
Molecular Formula
C14H11NO2
Num Rotatable Bonds
1