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
- 22703
- Core Entity Id
- 28419
- Source Entity Count
- 1
- Preferred Name
- Isolentideusether
- Name En
- Pubchem Id
- 101417922
- Smiles Canonical
- CC1=CCC2C3C1OC2(CCC3C(C)C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- ZCGARNDXHSUWKI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
- Isomeric Smiles
- CC1=CCC2C3C1OC2(CCC3C(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7923
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isolentideusether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isolentideusether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
isolentideusether
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030863
Tcmid
11484
Pub Chem
101417922
Tcmbank
TCMBANKIN040007
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
Mol Wt
220.356
Smiles
CC1=CCC2C3C1OC2(CCC3C(C)C)C
Mol Log P
3.792300000000003
In Ch Ikey
ZCGARNDXHSUWKI-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/11487.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.611
Num Hacceptors
1
Isomeric Smiles
CC1=CCC2C3C1OC2(CCC3C(C)C)C
Canonical Smiles
CC1=CCC2C3C1OC2(CCC3C(C)C)C
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1