Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14409
- Core Entity Id
- 19182
- Source Entity Count
- 1
- Preferred Name
- Chx
- Name En
- Pubchem Id
- 6197
- Smiles Canonical
- CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
- Molecular Formula
- C15H23NO4
- Molecular Weight
- 281.3520
- Inchikey
- YPHMISFOHDHNIV-FSZOTQKASA-N
- Inchi
- InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
- Cas Id
- 25012-93-5
- Ob Score
- 54.1215
- Mol Logp
- 1.0415
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
CHX
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chx
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chx
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chx
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
66-81-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
66-81-9
Role
alias
Source
HERB_v2
Preferred
No
Name
ACTIDIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACTIDIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
Actidion
Role
alias
Source
HERB_v2
Preferred
No
Name
Actidion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Actidone
Role
alias
Source
HERB_v2
Preferred
No
Name
Actidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cicloheximide
Role
alias
Source
HERB_v2
Preferred
No
Name
Cicloheximide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hizarocin
Role
alias
Source
HERB_v2
Preferred
No
Name
Hizarocin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaken
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaken
Role
alias
Source
HERB_v2
Preferred
No
Name
NARAMYCIN A
Role
alias
Source
HERB_v2
Preferred
No
Name
NARAMYCIN A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neocycloheximide
Role
alias
Source
HERB_v2
Preferred
No
Name
Neocycloheximide
Role
alias
Source
itcmdb_public
Preferred
No
Name
cycloheximide
Role
alias
Source
itcmdb_public
Preferred
No
Name
cycloheximide
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
66-81-9ACTIDIONEActidionActidoneCicloheximideHizarocinKakenNARAMYCIN ANeocycloheximidecycloheximide
Cross References
Trusted external identifiers retained for this final record.
Cas
110-82-725012-93-5
Herb
HBIN020521
Npass
NPC236495
Tcmid
33643
Tcmsp
MOL004735
Sym Map
SMIT06595
Tcm Id
5222
Pub Chem
6197
Etcm Ingredient
CHX
Itcmdb Generated
ITX-INGREDIENT-0912036C900C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
Mol Wt
281.352
Cas Id
25012-93-5110-82-7
Mol Log P
1.0415
Version
v1,v2
In Ch Ikey
YPHMISFOHDHNIV-FSZOTQKASA-N
Ob Score
54.1215218454.122
Suppress
0
Num Hdonors
2
Drug Likeness
0.757
Num Hacceptors
4
Isomeric Smiles
C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
Molecule Weight
84.18
Canonical Smiles
CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
Herb Alias Names
cycloheximide66-81-9ACTIDIONECicloheximideNARAMYCIN AKakenActidionActidoneHizarocinNeocycloheximide
Molecular Weight
84.090
Molecular Formula
C6H12
Molecular Formula
C15H23NO4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.038
Quantitative Estimate Of Drug Likeness（Qed）
0.422