Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Target: 9Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4697
- Core Entity Id
- 8411
- Source Entity Count
- 1
- Preferred Name
- 3-methylcarbazole
- Name En
- Pubchem Id
- 20746
- Smiles Canonical
- CC1=CC2=C(C=C1)NC3=CC=CC=C32
- Molecular Formula
- C13H11N
- Molecular Weight
- 181.2380
- Inchikey
- PHKYYUQQYARDIU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)NC3=CC=CC=C32
- Cas Id
- 4630-20-0
- Ob Score
- 20.1390
- Mol Logp
- 3.6295
- Num H Donors
- 1
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-METHYLCARBAZOLE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Methylcarbazole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-Methylcarbazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methylcarbazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methylcarbazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
18UX66Z45K
Role
alias
Source
HERB_v2
Preferred
No
Name
18UX66Z45K
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyl-9H-carbazole
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methyl-9H-carbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methyl-9H-carbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl carbazole
Role
alias
Source
TCMBank
Preferred
No
Name
4630-20-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4630-20-0
Role
alias
Source
TCMBank
Preferred
No
Name
4630-20-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methylcarbazole
Role
alias
Source
TCMBank
Preferred
No
Name
9H-Carbazole, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Carbazole, 3-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
9H-Carbazole, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L2GWU
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS287167
Role
alias
Source
TCMBank
Preferred
No
Name
AK555380
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS003654161
Role
alias
Source
TCMBank
Preferred
No
Name
BG01201402
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1173768
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-30668
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1D6259
Role
alias
Source
TCMBank
Preferred
No
Name
Carbazole, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbazole, 3-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Carbazole, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90196805
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 225-048-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 225-048-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 225-048-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT-0692230
Role
alias
Source
TCMBank
Preferred
No
Name
KB-32618
Role
alias
Source
TCMBank
Preferred
No
Name
M2561
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00464338
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 10154
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 10154
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-10154
Role
alias
Source
TCMBank
Preferred
No
Name
PHKYYUQQYARDIU-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL262221
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-18UX66Z45K
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-18UX66Z45K
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01869244
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1869244
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
18UX66Z45K3-Methyl-9H-carbazole3-methyl carbazole4630-20-06-methylcarbazole9H-Carbazole, 3-methyl-AC1L2GWUAIDS287167AK555380AKOS003654161BG01201402CHEMBL1173768CJ-30668CTK1D6259Carbazole, 3-methyl-DTXSID90196805EINECS 225-048-1FT-0692230KB-32618M2561MFCD00464338NSC 10154NSC-10154PHKYYUQQYARDIU-UHFFFAOYSA-NSCHEMBL262221UNII-18UX66Z45KZINC01869244ZINC1869244
Cross References
Trusted external identifiers retained for this final record.
Cas
4630-20-0
Herb
HBIN008924
Npass
NPC179365
Tcmid
14209
Tcmsp
MOL008387
Sym Map
SMIT09690SMIT16554
Pub Chem
20746
Tcmbank
TCMBANKIN039612
Etcm Ingredient
3-Methylcarbazole
Itcmdb Generated
ITX-INGREDIENT-588E794D6601
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
Mol Wt
181.238
Cas Id
4630-20-0
Smiles
CC1=CC2=C(C=C1)NC3=CC=CC=C32
Mol Log P
3.629520000000001
Version
v1,v2
In Ch Ikey
PHKYYUQQYARDIU-UHFFFAOYSA-N
Ob Score
20.13920.13909720.13909729
Suppress
1
Mol2 Path
/TCM_database/2007_3d_all/14216.mol2
Reference
703, 1521, 5072
Num Hdonors
1
Drug Likeness
0.545
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1)NC3=CC=CC=C32
Molecule Weight
181.25
Canonical Smiles
CC1=CC2=C(C=C1)NC3=CC=CC=C32
Herb Alias Names
3-Methyl-9H-carbazole4630-20-09H-Carbazole, 3-methyl-NSC 10154Carbazole, 3-methyl-18UX66Z45KEINECS 225-048-1NSC-10154UNII-18UX66Z45K
Molecular Weight
181.090
Molecular Weight
181.23
Molecular Formula
C13H11N
Molecular Formula
C13H11N
Molecular Formula
C13H11N
Num Rotatable Bonds
0
Link Ingredient Id
9690.0
Fda Maximum Daily Dose (Fdamdd)
0.885
Quantitative Estimate Of Drug Likeness（Qed）
0.545