Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12167
- Core Entity Id
- 16691
- Source Entity Count
- 1
- Preferred Name
- Benzo[a]carbazole
- Name En
- Pubchem Id
- 9196
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
- Molecular Formula
- C16H11N
- Molecular Weight
- 217.2710
- Inchikey
- MYKQKWIPLZEVOW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H11N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10,17H
- Isomeric Smiles
- C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
- Cas Id
- 239-01-0
- Ob Score
- 35.2150
- Mol Logp
- 4.4743
- Num H Donors
- 1
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzo[A]Carbazole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Benzo[A]Carbazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Benzo[a]carbazole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Benzo[a]carbazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzo[a]carbazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Benzo[a]carbazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2-Benzcarbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Benzcarbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Benzcarbazole
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-Benzocarbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Benzocarbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Benzocarbazole
Role
alias
Source
TCMBank
Preferred
No
Name
11-Azachrysofluorene
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Azachrysofluorene
Role
alias
Source
TCMBank
Preferred
No
Name
11-Azachrysofluorene
Role
alias
Source
HERB_v2
Preferred
No
Name
11H-Benzo[a]carbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
11H-Benzo[a]carbazole
Role
alias
Source
TCMBank
Preferred
No
Name
11H-Benzo[a]carbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
239-01-0
Role
alias
Source
HERB_v2
Preferred
No
Name
239-01-0
Role
alias
Source
TCMBank
Preferred
No
Name
239-01-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-20-08-00456 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
67526-84-5
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-019648
Role
alias
Source
TCMBank
Preferred
No
Name
BENZO(A)CARBAZOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
BENZO(A)CARBAZOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
BENZO(A)CARBAZOLE
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0155940
Role
alias
Source
TCMBank
Preferred
No
Name
Benzocarbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzocarbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 205-945-4
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00215939
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00215939
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 403640
Role
alias
Source
TCMBank
Preferred
No
Name
NSC60421
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T D6 B566 CMJ
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2-Benzcarbazole1,2-Benzocarbazole11-Azachrysofluorene11H-Benzo[a]carbazole239-01-05-20-08-00456 (Beilstein Handbook Reference)67526-84-5AIDS-019648BENZO(A)CARBAZOLEBRN 0155940BenzocarbazoleEINECS 205-945-4MFCD00215939NSC 403640NSC60421WLN: T D6 B566 CMJ
Cross References
Trusted external identifiers retained for this final record.
Cas
239-01-0
Herb
HBIN017779
Tcmsp
MOL010813
Sym Map
SMIT11798
Pub Chem
9196
Tcmbank
TCMBANKIN017681
Etcm Ingredient
Benzo[a]carbazole
Itcmdb Generated
ITX-INGREDIENT-7465435E7E1D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H11N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10,17H
Mol Wt
217.271
Cas Id
239-01-0
Smiles
C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
Mol Log P
4.474300000000002
Version
v1,v2
In Ch Ikey
MYKQKWIPLZEVOW-UHFFFAOYSA-N
Ob Score
35.21535.21518735.21518709
Suppress
0
Num Hdonors
1
Drug Likeness
0.447
Num Hacceptors
0
Isomeric Smiles
C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
Molecule Weight
217.28
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
Herb Alias Names
11H-Benzo[a]carbazole239-01-0Benzocarbazole1,2-Benzocarbazole1,2-BenzcarbazoleBENZO(A)CARBAZOLE11-Azachrysofluorene11H-Benzo(a)carbazoleMFCD00215939
Molecular Weight
217.090
Molecular Weight
217.27
Molecular Formula
C16H11N
Molecular Formula
C16H11N
Molecular Formula
C16H11N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.793
Quantitative Estimate Of Drug Likeness（Qed）
0.447