Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11917
- Core Entity Id
- 16412
- Source Entity Count
- 1
- Preferred Name
- Azoxyalkene
- Name En
- Pubchem Id
- 10330929
- Smiles Canonical
- CCCCC=C[N+](=NC(C)C(CO)O)[O-]
- Molecular Formula
- C10H20N2O3
- Molecular Weight
- 216.2810
- Inchikey
- JKVDUVLJIHYDPA-HLPGFYMISA-N
- Inchi
- InChI=1S/C10H20N2O3/c1-3-4-5-6-7-12(15)11-9(2)10(14)8-13/h6-7,9-10,13-14H,3-5,8H2,1-2H3/b7-6-,12-11?
- Isomeric Smiles
- CCCC/C=C\[N+](=NC(C)C(CO)O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 1.3945
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Azoxyalkene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Azoxyalkene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Azoxyalkene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Azoxyalkene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
杏树根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XING SHU GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Apricot Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
杏树根XING SHU GENApricot Root
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017459
Tcmid
2063
Pub Chem
10330929
Tcmbank
TCMBANKIN043739
Etcm Ingredient
Azoxyalkene
Itcmdb Generated
ITX-INGREDIENT-9916CBE32BAB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H20N2O3/c1-3-4-5-6-7-12(15)11-9(2)10(14)8-13/h6-7,9-10,13-14H,3-5,8H2,1-2H3/b7-6-,12-11?
Mol Wt
216.281
Mol Log P
1.3945
In Ch Ikey
JKVDUVLJIHYDPA-HLPGFYMISA-N
Tcm Name
杏树根
Tcm Name2
XING SHU GEN
Mol2 Path
/TCM_database/2007_3d_all/02063.mol2
Reference
5402
Num Hdonors
2
Tcm Name En
Apricot Root
Drug Likeness
0.292
Num Hacceptors
4
Isomeric Smiles
CCCC/C=C\[N+](=NC(C)C(CO)O)[O-]
Canonical Smiles
CCCCC=C[N+](=NC(C)C(CO)O)[O-]
Molecular Weight
216.150
Molecular Formula
C10H20N2O3
Molecular Formula
C10H20N2O3
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.292