Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24500
- Core Entity Id
- 30421
- Source Entity Count
- 1
- Preferred Name
- L-hypoglycin
- Name En
- Pubchem Id
- 441451
- Smiles Canonical
- C=C1CC1CC(C(=O)O)N
- Molecular Formula
- C7H11NO2
- Molecular Weight
- 141.1700
- Inchikey
- OOJZCXFXPZGUBJ-WDSKDSINSA-N
- Inchi
- InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6-/m0/s1
- Isomeric Smiles
- C=C1C[C@H]1C[C@@H](C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- 0.3645
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-Hypoglycin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-hypoglycin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
L-hypoglycin
Role
preferred
Source
itcmdb_public
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
(2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,4S)-hypoglycin A
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,4S)-hypoglycin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9B77
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9B77
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006326677
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006326677
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6248
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6248
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-222798
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-222798
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglycin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hypoglycin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglycine A
Role
alias
Source
HERB_v2
Preferred
No
Name
Hypoglycine A
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC03876009
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC03876009
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
XI FEI LI ZHI GUOAkee(2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acid(2S,4S)-hypoglycin AAC1L9B77AKOS006326677CHEBI:6248DB-222798Hypoglycin AHypoglycine AZINC03876009
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033057
Npass
NPC312018
Tcmid
10897
Pub Chem
441451
Tcmbank
TCMBANKIN046231
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6-/m0/s1
Mol Wt
141.17
Mol Log P
0.3645000000000001
In Ch Ikey
OOJZCXFXPZGUBJ-WDSKDSINSA-N
Tcm Name2
XI FEI LI ZHI GUO
Mol2 Path
/TCM_database/2007_3d_all/10898.mol2
Reference
658
Num Hdonors
2
Tcm Name En
Akee
Drug Likeness
0.558
Num Hacceptors
2
Isomeric Smiles
C=C1C[C@H]1C[C@@H](C(=O)O)N
Canonical Smiles
C=C1CC1CC(C(=O)O)N
Herb Alias Names
Hypoglycine AHypoglycin A(2S,4S)-hypoglycin AAC1L9B77(2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acidCHEBI:6248ZINC03876009AKOS006326677DB-222798
Molecular Weight
141.17 g/mol
Molecular Formula
C7H11NO2
Num Rotatable Bonds
3