ITCMDBv1
IngredientID 8485

7-methoxy-beta-carboline-1-propionicacid

C15H14N2O3

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8485
Core Entity Id
12600
Source Entity Count
1
Preferred Name
7-methoxy-beta-carboline-1-propionicacid
Name En
Pubchem Id
12082492
Smiles Canonical
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Molecular Formula
C15H14N2O3
Molecular Weight
270.2880
Inchikey
WEBVBZDGWMAXEF-UHFFFAOYSA-N
Inchi
InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Cas Id
Ob Score
Mol Logp
2.7419
Num H Donors
2
Num H Acceptors
3
Num Rotatable Bonds
4
Drug Likeness
0.7640
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
7-methoxy-beta-carboline-1-propionicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-methoxy-beta-carboline-1-propionicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
137756-13-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
137756-13-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-{7-methoxy-9H-pyrido[3,4-b]indol-1-yl}propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-b-carboline-1-propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-b-carboline-1-propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-beta-carboline-1-propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-beta-carboline-1-propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-|A-carboline-1-propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
A-carboline-1-propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL504997
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL504997
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50477248
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50477248
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-methoxy-β-carboline-1-propionicacid
Role
preferred
Source
TCMBank
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

137756-13-93-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acid3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid3-{7-methoxy-9H-pyrido[3,4-b]indol-1-yl}propanoic acid7-Methoxy-7-Methoxy-b-carboline-1-propionic acid7-Methoxy-beta-carboline-1-propionic acid7-Methoxy-|A-carboline-1-propionic acid9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-A-carboline-1-propionic acidCHEMBL504997DTXSID504772487-methoxy-β-carboline-1-propionicacid

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013339
Npass
NPC60621
Tcmid
13864
Pub Chem
12082492
Tcmbank
TCMBANKIN026207

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
Mol Wt
270.288
Smiles
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Mol Log P
2.7419
In Ch Ikey
WEBVBZDGWMAXEF-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.764
Num Hacceptors
3
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Canonical Smiles
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Herb Alias Names
137756-13-97-Methoxy-beta-carboline-1-propionic acid7-Methoxy-b-carboline-1-propionic acid3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-7-Methoxy-|A-carboline-1-propionic acid3-{7-methoxy-9H-pyrido[3,4-b]indol-1-yl}propanoic acid3-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acidCHEMBL504997DTXSID50477248
Molecular Formula
C15H14N2O3
Molecular Formula
C15H14N2O3
Num Rotatable Bonds
4