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
- 24340
- Core Entity Id
- 30243
- Source Entity Count
- 1
- Preferred Name
- Lejeuneapinguisenone
- Name En
- Pubchem Id
- 101020991
- Smiles Canonical
- CC1CCC2(C1(CC(=O)C(=CCO)C2C)C)C
- Molecular Formula
- C15H24O2
- Molecular Weight
- 236.3550
- Inchikey
- FNXJSYHJXVJVPU-CRNMJBKFSA-N
- Inchi
- InChI=1S/C15H24O2/c1-10-5-7-14(3)11(2)12(6-8-16)13(17)9-15(10,14)4/h6,10-11,16H,5,7-9H2,1-4H3/b12-6+/t10-,11-,14+,15+/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@]2([C@]1(CC(=O)/C(=C/CO)/[C@H]2C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9565
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lejeuneapinguisenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lejeuneapinguisenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lejeuneapinguisenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lejeuneapinguisenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
叶苔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE TAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
叶苔YE TAI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032862
Tcmid
12605
Pub Chem
101020991
Tcmbank
TCMBANKIN042514
Etcm Ingredient
Lejeuneapinguisenone
Itcmdb Generated
ITX-INGREDIENT-186CF3C0D3A1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O2/c1-10-5-7-14(3)11(2)12(6-8-16)13(17)9-15(10,14)4/h6,10-11,16H,5,7-9H2,1-4H3/b12-6+/t10-,11-,14+,15+/m1/s1
Mol Wt
236.355
Mol Log P
2.956500000000001
In Ch Ikey
FNXJSYHJXVJVPU-CRNMJBKFSA-N
Tcm Name
叶苔
Tcm Name2
YE TAI
Mol2 Path
/TCM_database/2007_3d_all/12610.mol2
Reference
3909
Num Hdonors
1
Drug Likeness
0.711
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1CC[C@@]2([C@]1(CC(=O)/C(=C/CO)/[C@H]2C)C)C
Canonical Smiles
CC1CCC2(C1(CC(=O)C(=CCO)C2C)C)C
Molecular Weight
236.180
Molecular Weight
236.35 g/mol
Molecular Formula
C15H24O2
Molecular Formula
C15H24O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.053
Quantitative Estimate Of Drug Likeness（Qed）
0.690