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
- 24350
- Core Entity Id
- 30254
- Source Entity Count
- 1
- Preferred Name
- Lentideusether
- Name En
- Pubchem Id
- 11413373
- Smiles Canonical
- CC(C)C1CCC2(C3C1C2C(=C)CC3O)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- DATKFZMVDXINEI-GXYBRJDSSA-N
- Inchi
- InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11-,12-,13-,14+,15+/m0/s1
- Isomeric Smiles
- CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]2C(=C)C[C@@H]3O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2417
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lentideusether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lentideusether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lentideusether
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032875
Tcmid
12618
Pub Chem
11413373
Tcmbank
TCMBANKIN048763
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11-,12-,13-,14+,15+/m0/s1
Mol Wt
220.356
Smiles
CC(C)C1CCC2(C3C1C2C(=C)CC3O)C
Mol Log P
3.241700000000002
In Ch Ikey
DATKFZMVDXINEI-GXYBRJDSSA-N
Mol2 Path
/TCM_database/2007_3d_all/12623.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.673
Num Hacceptors
1
Isomeric Smiles
CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]2C(=C)C[C@@H]3O)C
Canonical Smiles
CC(C)C1CCC2(C3C1C2C(=C)CC3O)C
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1