Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4395
- Core Entity Id
- 8073
- Source Entity Count
- 1
- Preferred Name
- 3-formylcarbazole
- Name En
- Pubchem Id
- 504067
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O
- Molecular Formula
- C13H9NO
- Molecular Weight
- 195.2210
- Inchikey
- WRBOHOGDAJPJOQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O
- Cas Id
- Ob Score
- Mol Logp
- 3.1336
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Formylcarbazole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-Formylcarbazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-formylcarbazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-formylcarbazole
Role
preferred
Source
itcmdb_public
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
2-Formylcarbazole (obsol.)
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Formylcarbazole (obsol.)
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Formyl-9H-carbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Formyl-9H-carbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
51761-07-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
51761-07-0
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Carbazole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Carbazole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Carbazole-3-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Carbazole-3-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1172392
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1172392
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD09743119
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD09743119
Role
alias
Source
HERB_v2
Preferred
No
Name
QWC6E2F7Z5
Role
alias
Source
itcmdb_public
Preferred
No
Name
QWC6E2F7Z5
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-QWC6E2F7Z5
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-QWC6E2F7Z5
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
硬毛小芸木YIN MAO XIAO YUN MUHairy Micromelum*2-Formylcarbazole (obsol.)3-Formyl-9H-carbazole51761-07-09H-Carbazole-3-carbaldehyde9H-Carbazole-3-carboxaldehydeCHEMBL1172392MFCD09743119QWC6E2F7Z5UNII-QWC6E2F7Z5
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008551
Npass
NPC76982
Tcmid
7896
Pub Chem
504067
Tcmbank
TCMBANKIN038500
Etcm Ingredient
3-Formylcarbazole
Itcmdb Generated
ITX-INGREDIENT-38D3E5C5DFAE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H
Mol Wt
195.221
Mol Log P
3.133600000000001
In Ch Ikey
WRBOHOGDAJPJOQ-UHFFFAOYSA-N
Tcm Name
硬毛小芸木
Tcm Name2
YIN MAO XIAO YUN MU
Mol2 Path
/TCM_database/2007_3d_all/07897.mol2
Reference
5072, 5367
Num Hdonors
1
Tcm Name En
Hairy Micromelum*
Drug Likeness
0.594
Num Hacceptors
1
Isomeric Smiles
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O
Canonical Smiles
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O
Herb Alias Names
9H-Carbazole-3-carbaldehyde51761-07-09H-Carbazole-3-carboxaldehyde3-Formyl-9H-carbazoleQWC6E2F7Z5CHEMBL1172392MFCD09743119UNII-QWC6E2F7Z52-Formylcarbazole (obsol.)
Molecular Weight
195.070
Molecular Weight
195.22 g/mol
Molecular Formula
C13H9NO
Molecular Formula
C13H9NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.880
Quantitative Estimate Of Drug Likeness（Qed）
0.594