ITCMDBv1
IngredientID 2485

Folinic acid

C20H23N7O7

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Trial: 12Herb: 12Ingredient: 1Target: 14Links: 38
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2485
Core Entity Id
5950
Source Entity Count
1
Preferred Name
Folinic acid
Name En
Pubchem Id
135403648
Smiles Canonical
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]
Molecular Formula
C20H23N7O7
Molecular Weight
473.4460
Inchikey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
Inchi
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m0/s1
Isomeric Smiles
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Cas Id
21314
Ob Score
23.6000
Mol Logp
-0.7311
Num H Donors
7
Num H Acceptors
9
Num Rotatable Bonds
10
Drug Likeness
0.2130
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(2R)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Keto-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Benzoyl]Amino]Glutaric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Keto-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Benzoyl]Amino]Glutaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r)-2-[[4-[[(6s)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r)-2-[[4-[[(6s)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Folinic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Folinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Folinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Folinic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Folinic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-dicobaltiopropyl)benzamide
Role
alias
Source
TCMBank
Preferred
No
Name
5-Formyltetrahydrofolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Formyltetrahydrofolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-05-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-05-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Acide folinique
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acide folinique
Role
alias
Source
HERB_v2
Preferred
No
Name
Folinic acid-SF
Role
alias
Source
HERB_v2
Preferred
No
Name
Folinic acid-SF
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leucal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leucal
Role
alias
Source
HERB_v2
Preferred
No
Name
N5 -Formyl-5,6,7,8- tetrahydropteroyl-L -glutamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Welcovorin
Role
alias
Source
HERB_v2
Preferred
No
Name
Welcovorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Wellcovorin
Role
alias
Source
HERB_v2
Preferred
No
Name
Wellcovorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
folinate
Role
alias
Source
HERB_v2
Preferred
No
Name
folinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
folinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
leucovorin
Role
alias
Source
HERB_v2
Preferred
No
Name
leucovorin
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R)-2-[[4-[[(6S)-2-Amino-5-Formyl-4-Keto-1,6,7,8-Tetrahydropteridin-6-Yl]Methylamino]Benzoyl]Amino]Glutaric Acid(2R)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid(2R)-2-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid(2R)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-dicobaltiopropyl)benzamide5-Formyltetrahydrofolic acid58-05-9Acide foliniqueFolinic acid-SFLeucalN5 -Formyl-5,6,7,8- tetrahydropteroyl-L -glutamic acidWelcovorinWellcovorinfolinateleucovorin

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006369HBIN026629
Tcmid
309687852
Tcmsp
MOL003845MOL003876
Sym Map
SMIT05858SMIT05883SMIT15404SMIT19188
Tcm Id
24646
Pub Chem
1354036481358020743033683
Tcmbank
TCMBANKIN012460TCMBANKIN036309
Etcm Ingredient
Folinic acid
Itcmdb Generated
ITX-INGREDIENT-FFD8628AEE81

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m0/s1InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
Mol Wt
473.4460000000003
Cas Id
21314
Smiles
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]
Mol Log P
-0.7310999999999972
Version
v1,v2
In Ch Ikey
VVIAGPKUTFNRDU-ABLWVSNPSA-NVVIAGPKUTFNRDU-QWHCGFSZSA-N
Ob Score
23.623.6004345723.6004355.8985.8980715.898071051
Suppress
01
Num Hdonors
7
Drug Likeness
0.213
Num Hacceptors
9
Isomeric Smiles
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)OC1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O
Molecule Weight
473.5
Canonical Smiles
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Molecular Weight
473.170
Molecular Weight
2122.51
Molecular Formula
C20H23N7O7
Molecular Formula
C99H148N24O24S2
Molecular Formula
C20H23N7O7
Num Rotatable Bonds
10
Link Ingredient Id
5858.0
Fda Maximum Daily Dose (Fdamdd)
0.078
Quantitative Estimate Of Drug Likeness（Qed）
0.200