Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4393
- Core Entity Id
- 8071
- Source Entity Count
- 1
- Preferred Name
- 3-formyl-6-methoxycarbazole
- Name En
- Pubchem Id
- 5278452
- Smiles Canonical
- COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O
- Molecular Formula
- C14H11NO2
- Molecular Weight
- 225.2470
- Inchikey
- MPGLRLBJCNRDKU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O
- Cas Id
- Ob Score
- Mol Logp
- 3.1422
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-formyl-6-methoxycarbazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-formyl-6-methoxycarbazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-formyl-6-methoxycarbazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
107816-72-8
Role
alias
Source
HERB_v2
Preferred
No
Name
107816-72-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methoxy-9H-carbazole-3-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methoxy-9H-carbazole-3-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methoxy-9H-carbazole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-9H-carbazole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Carbazole-3-carboxaldehyde, 6-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Carbazole-3-carboxaldehyde, 6-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:178581
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:178581
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2036042
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2036042
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701310532
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID701310532
Role
alias
Source
itcmdb_public
Preferred
No
Name
MPGLRLBJCNRDKU-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
MPGLRLBJCNRDKU-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15774313
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15774313
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
107816-72-86-Methoxy-9H-carbazole-3-carboxaldehyde6-methoxy-9H-carbazole-3-carbaldehyde9H-Carbazole-3-carboxaldehyde, 6-methoxy-CHEBI:178581CHEMBL2036042DTXSID701310532MPGLRLBJCNRDKU-UHFFFAOYSA-NSCHEMBL15774313
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008550
Npass
NPC45190
Tcmid
7906
Pub Chem
5278452
Tcmbank
TCMBANKIN042448
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3
Mol Wt
225.247
Smiles
COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O
Mol Log P
3.142200000000001
In Ch Ikey
MPGLRLBJCNRDKU-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07907.mol2
Reference
5072
Num Hdonors
1
Drug Likeness
0.681
Num Hacceptors
2
Isomeric Smiles
COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O
Canonical Smiles
COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O
Herb Alias Names
6-methoxy-9H-carbazole-3-carbaldehyde107816-72-89H-Carbazole-3-carboxaldehyde, 6-methoxy-6-Methoxy-9H-carbazole-3-carboxaldehydeCHEMBL2036042SCHEMBL15774313CHEBI:178581MPGLRLBJCNRDKU-UHFFFAOYSA-NDTXSID701310532
Molecular Weight
225.24 g/mol
Molecular Formula
C14H11NO2
Molecular Formula
C14H11NO2
Num Rotatable Bonds
2