Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24492
- Core Entity Id
- 30412
- Source Entity Count
- 1
- Preferred Name
- Hypoglycine b
- Name En
- Pubchem Id
- 108105
- Smiles Canonical
- C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N
- Molecular Formula
- C12H18N2O5
- Molecular Weight
- 270.2850
- Inchikey
- UYDZYCPIQSRXKU-CIUDSAMLSA-N
- Inchi
- InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)
- Isomeric Smiles
- C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- -0.2859
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hypoglycine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hypoglycine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
L-gamma-Glutamyl-L-hypoglycin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-gamma-glutamyl-l-hypoglycin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-gamma-glutamyl-l-hypoglycin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hypoglycine b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
XI FEI LI ZHI GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Akee
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-amino-5-[[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino-5-[[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
502-37-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
502-37-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9B6P
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9B6P
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08280
Role
alias
Source
HERB_v2
Preferred
No
Name
C08280
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6332
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6332
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglicin B (L-gamma-Glutamyl-L-Hypoglycine A)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hypoglicin B (L-gamma-Glutamyl-L-Hypoglycine A)
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglycin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglycin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hypoglycine B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hypoglycine B
Role
alias
Source
HERB_v2
Preferred
No
Name
N-g-Glutamyl-3-(methylenecyclopropyl)alanine, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
N-g-Glutamyl-3-(methylenecyclopropyl)alanine, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00003192
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00003192
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14332395
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14332395
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-gamma-glutamyl-l-hypoglycin
Role
alias
Source
TCMBank
Preferred
No
Name
l-γ-glutamyl-l-hypoglycin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-gamma-Glutamyl-L-hypoglycinXI FEI LI ZHI GUOAkee2-amino-5-[[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid502-37-4AC1L9B6PC08280CHEBI:6332Hypoglicin B (L-gamma-Glutamyl-L-Hypoglycine A)Hypoglycin BN-g-Glutamyl-3-(methylenecyclopropyl)alanine, 9CINS00003192SCHEMBL14332395l-γ-glutamyl-l-hypoglycin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029860HBIN033046HBIN034073
Npass
NPC321944NPC85644
Tcmid
310448775
Tcm Id
229793610
Pub Chem
10810544144590658136
Tcmbank
TCMBANKIN039479TCMBANKIN058014
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-,9-/m0/s1
Mol Wt
270.285
Smiles
C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N
Mol Log P
-0.2858999999999982
In Ch Ikey
UYDZYCPIQSRXKU-CIUDSAMLSA-NUYDZYCPIQSRXKU-UHFFFAOYSA-N
Tcm Name2
XI FEI LI ZHI GUO
Reference
658
Num Hdonors
4
Tcm Name En
Akee
Drug Likeness
0.449
Num Hacceptors
4
Isomeric Smiles
C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)NC=C1C[C@H]1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Canonical Smiles
C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N
Herb Alias Names
Hypoglycin B502-37-42-amino-5-[[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acidN-g-Glutamyl-3-(methylenecyclopropyl)alanine, 9CI
Molecular Weight
270.28 g/mol
Molecular Formula
C12H18N2O5
Molecular Formula
C12H18N2O5
Num Rotatable Bonds
8