Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14208
- Core Entity Id
- 18960
- Source Entity Count
- 1
- Preferred Name
- Cheliensisamine
- Name En
- Pubchem Id
- 5315814
- Smiles Canonical
- CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N
- Molecular Formula
- C12H9NO4
- Molecular Weight
- 231.2070
- Inchikey
- MFVOGDBQZRUXSR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H9NO4/c1-5(14)12(13)9-10(16)8-6(11(9)17-12)3-2-4-7(8)15/h2-4,15H,13H2,1H3
- Isomeric Smiles
- CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N
- Cas Id
- Ob Score
- Mol Logp
- 0.5738
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cheliensisamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cheliensisamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cheliensisamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cheliensisamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cheliensisamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSTHZ
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-oneAC1NSTHZ
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020275
Npass
NPC129276
Tcmid
3504
Sym Map
SMIT14633
Pub Chem
5315814
Tcmbank
TCMBANKIN009025
Etcm Ingredient
Cheliensisamine
Itcmdb Generated
ITX-INGREDIENT-59EF3CA4C2DC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H9NO4/c1-5(14)12(13)9-10(16)8-6(11(9)17-12)3-2-4-7(8)15/h2-4,15H,13H2,1H3
Mol Wt
231.207
Smiles
CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N
Mol Log P
0.5738000000000001
Version
v1,v2
In Ch Ikey
MFVOGDBQZRUXSR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.737
Num Hacceptors
5
Isomeric Smiles
CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N
Canonical Smiles
CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N
Molecular Weight
231.050
Molecule Formula
C12H9NO4
Molecular Formula
C12H9NO4
Molecular Formula
C12H9NO4
Molecular Formula
C12H9NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.591
Quantitative Estimate Of Drug Likeness（Qed）
0.737