Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11477
- Core Entity Id
- 15924
- Source Entity Count
- 1
- Preferred Name
- Arsanin
- Name En
- Pubchem Id
- 13864723
- Smiles Canonical
- CC1C2CCC3(C(CC(=O)C(C3C2OC1=O)C)O)C
- Molecular Formula
- C15H22O4
- Molecular Weight
- 266.3370
- Inchikey
- YRFWEPYMRLGVBZ-SNNRJATNSA-N
- Inchi
- InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-9,11-13,17H,4-6H2,1-3H3/t7-,8+,9-,11+,12+,13-,15-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2CC[C@]3([C@@H](CC(=O)[C@H]([C@@H]3[C@H]2OC1=O)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.5502
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arsanin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Arsanin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arsanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arsanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
arsanin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016904
Npass
NPC206046
Tcmid
35058
Sym Map
SMIT22419
Pub Chem
13864723
Tcmbank
TCMBANKIN018191
Itcmdb Generated
ITX-INGREDIENT-01230009E714
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-9,11-13,17H,4-6H2,1-3H3/t7-,8+,9-,11+,12+,13-,15-/m0/s1
Mol Wt
266.337
Smiles
CC1C2CCC3(C(CC(=O)C(C3C2OC1=O)C)O)C
Mol Log P
1.5502
Version
v2
In Ch Ikey
YRFWEPYMRLGVBZ-SNNRJATNSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.676
Num Hacceptors
4
Isomeric Smiles
C[C@H]1[C@@H]2CC[C@]3([C@@H](CC(=O)[C@H]([C@@H]3[C@H]2OC1=O)C)O)C
Canonical Smiles
CC1C2CCC3(C(CC(=O)C(C3C2OC1=O)C)O)C
Molecular Weight
266.33 g/mol
Molecular Formula
C15H22O4
Molecular Formula
C15H22O4
Num Rotatable Bonds
0