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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12940
- Core Entity Id
- 17552
- Source Entity Count
- 1
- Preferred Name
- Bufoteninine
- Name En
- Pubchem Id
- 656705
- Smiles Canonical
- C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
- Molecular Formula
- C13H19N2O+
- Molecular Weight
- 219.3080
- Inchikey
- HIYGARYIJIZXGW-UHFFFAOYSA-O
- Inchi
- InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1
- Isomeric Smiles
- C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1222
- Num H Donors
- 2
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bufoteninine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Bufoteninine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bufoteninine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bufoteninine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bufoteninine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
蟾蜍
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAN CHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Toad
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
Role
alias
Source
HERB_v2
Preferred
No
Name
5-HTQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-HTQ
Role
alias
Source
HERB_v2
Preferred
No
Name
60657-23-0
Role
alias
Source
HERB_v2
Preferred
No
Name
60657-23-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LCVFT
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LCVFT
Role
alias
Source
HERB_v2
Preferred
No
Name
Bufoteninium
Role
alias
Source
HERB_v2
Preferred
No
Name
Bufoteninium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bufotenium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bufotenium
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:31879
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:31879
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL317971
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL317971
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinobufotenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinobufotenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N,N-Trimethylserotonin
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N,N-Trimethylserotonin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
蟾蜍CHAN CHUToad2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium5-HTQ60657-23-0AC1LCVFTBufoteniniumBufoteniumCHEBI:31879CHEMBL317971CinobufotenineN,N,N-Trimethylserotonin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018994
Tcmid
30688
Sym Map
SMIT22715
Pub Chem
656705
Tcmbank
TCMBANKIN040245
Itcmdb Generated
ITX-INGREDIENT-07C28C5EC953
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1
Mol Wt
219.308
Mol Log P
2.122200000000001
Version
v2
In Ch Ikey
HIYGARYIJIZXGW-UHFFFAOYSA-O
Suppress
0
Tcm Name
蟾蜍
Tcm Name2
CHAN CHU
Reference
2, 658
Num Hdonors
2
Tcm Name En
Toad
Drug Likeness
0.762
Num Hacceptors
1
Isomeric Smiles
C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
Canonical Smiles
C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O
Herb Alias Names
CinobufotenineN,N,N-Trimethylserotonin60657-23-0BufoteniniumBufotenium5-HTQCHEMBL3179712-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazaniumCHEBI:31879AC1LCVFT
Molecular Formula
C13H19N2O+
Num Rotatable Bonds
3