ITCMDBv1
IngredientID 25219

Lycoperodine 1

C12H12N2O2

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Herb: 2Ingredient: 1Target: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
25219
Core Entity Id
31224
Source Entity Count
1
Preferred Name
Lycoperodine 1
Name En
Pubchem Id
449440
Smiles Canonical
C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
Molecular Formula
C12H12N2O2
Molecular Weight
216.2400
Inchikey
FSNCEEGOMTYXKY-JTQLQIEISA-N
Inchi
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
Isomeric Smiles
C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O
Cas Id
Ob Score
Mol Logp
1.2668
Num H Donors
3
Num H Acceptors
2
Num Rotatable Bonds
1
Drug Likeness
0.6720
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Lycoperodine 1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycoperodine 1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycoperodine 1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
西红柿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FAN QIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tomato
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
42438-90-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
42438-90-4
Role
alias
Source
HERB_v2
Preferred
No
Name
BIDD:GT0550
Role
alias
Source
HERB_v2
Preferred
No
Name
BIDD:GT0550
Role
alias
Source
itcmdb_public
Preferred
No
Name
CYCLOMETHYLTRYPTOPHAN
Role
alias
Source
HERB_v2
Preferred
No
Name
CYCLOMETHYLTRYPTOPHAN
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycoperodine-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycoperodine-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00272641
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00272641
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-(3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
lycoperodine 1
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

西红柿FAN QIETomato(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID42438-90-4BIDD:GT0550CYCLOMETHYLTRYPTOPHANL-1,2,3,4-Tetrahydronorharman-3-carboxylic acidL-1,2,3,4-tetrahydronorharmane-3-carboxylic acidLycoperodine-1MFCD00272641(-)-(3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN033973HBIN003866HBIN009593
Tcmid
132064077442106
Pub Chem
449440
Tcmbank
TCMBANKIN019800TCMBANKIN058532
Itcmdb Generated
ITX-INGREDIENT-7B444F5AD3B7

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
Mol Wt
216.24
Smiles
C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
Mol Log P
1.2668
In Ch Ikey
FSNCEEGOMTYXKY-JTQLQIEISA-N
Tcm Name
西红柿
Tcm Name2
FAN QIE
Mol2 Path
/TCM_database/2007_3d_all/13213.mol2
Reference
3018
Num Hdonors
3
Tcm Name En
Tomato
Drug Likeness
0.672
Num Hacceptors
2
Isomeric Smiles
C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O
Canonical Smiles
C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
Herb Alias Names
42438-90-4L-1,2,3,4-Tetrahydronorharman-3-carboxylic acidCYCLOMETHYLTRYPTOPHAN(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACIDLycoperodine-1(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acidL-1,2,3,4-tetrahydronorharmane-3-carboxylic acidMFCD00272641BIDD:GT0550
Molecular Weight
216.24 g/mol
Molecular Formula
C12H12N2O2
Molecular Formula
C12H12N2O2
Num Rotatable Bonds
1