Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 59427
- Core Entity Id
- 102438
- Source Entity Count
- 1
- Preferred Name
- Valencen
- Name En
- Pubchem Id
- 9855795
- Smiles Canonical
- C=C(C)C1CCC2=CCCC(C)C2(C)C1
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3500
- Inchikey
- QEBNYNLSCGVZOH-NFAWXSAZSA-N
- Inchi
- InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
- Isomeric Smiles
- Cas Id
- 997297
- Ob Score
- Mol Logp
- 5.2000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Valencen
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Valencen
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Valencen
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047689
Tcmid
33788
Sym Map
SMIT27379
Tcmbank
TCMBANKIN060469
Itcmdb Generated
ITX-INGREDIENT-7A255CAEDCC6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CCC=C2C1(CC(CC2)C(=C)C)C
Version
v2
Suppress
0
Molecular Weight
204.35 g/mol
Molecular Formula
C15H24