Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39830
- Core Entity Id
- 76858
- Source Entity Count
- 1
- Preferred Name
- (1r)-2,3,4,9-tetrahydro-1h-$b-carboline-1-carboxylic acid
- Name En
- Pubchem Id
- 675537
- Smiles Canonical
- C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O
- Molecular Formula
- C12H12N2O2
- Molecular Weight
- 216.2400
- Inchikey
- XGCIVVYTCDKDLC-LLVKDONJSA-N
- Inchi
- InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)/t11-/m1/s1
- Isomeric Smiles
- C1CN[C@H](C2=C1C3=CC=CC=C3N2)C(=O)O
- Cas Id
- 6649-91-8
- Ob Score
- 52.8980
- Mol Logp
- 1.4393
- Num H Donors
- 3
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R)-2,3,4,9-Tetrahydro-1H-$B-Carboline-1-Carboxylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1R)-2,3,4,9-Tetrahydro-1H-$B-Carboline-1-Carboxylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1R)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r)-2,3,4,9-tetrahydro-1h-$b-carboline-1-carboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1r)-2,3,4,9-tetrahydro-1h-$b-carboline-1-carboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
6649-91-8
Herb
HBIN003026
Tcmsp
MOL008375
Sym Map
SMIT09680
Pub Chem
675537
Tcmbank
TCMBANKIN029053
Etcm Ingredient
(1R)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid
Itcmdb Generated
ITX-INGREDIENT-6ADF81573F13
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)/t11-/m1/s1
Mol Wt
216.24
Cas Id
6649-91-8
Mol Log P
1.4393
Version
v1,v2
In Ch Ikey
XGCIVVYTCDKDLC-LLVKDONJSA-N
Ob Score
52.89852.89809152.89809107
Suppress
0
Num Hdonors
3
Drug Likeness
0.675
Num Hacceptors
2
Isomeric Smiles
C1CN[C@H](C2=C1C3=CC=CC=C3N2)C(=O)O
Molecule Weight
216.26
Canonical Smiles
C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O
Molecular Weight
216.090
Molecular Weight
216.24
Molecular Formula
C12H12N2O2
Molecular Formula
C12H12N2O2
Molecular Formula
C12H12N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.458
Quantitative Estimate Of Drug Likeness（Qed）
0.675