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
- 14247
- Core Entity Id
- 19004
- Source Entity Count
- 1
- Preferred Name
- Chinensiolide a
- Name En
- Pubchem Id
- 639162
- Smiles Canonical
- CC1(CCC2C(C3C1CC(=O)C3=C)OC(=O)C2=C)O
- Molecular Formula
- C15H18O4
- Molecular Weight
- 262.3050
- Inchikey
- ZFIYHRXIURBIFJ-KVUDVHCYSA-N
- Inchi
- InChI=1S/C15H18O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h9-10,12-13,18H,1-2,4-6H2,3H3/t9-,10-,12-,13-,15+/m0/s1
- Isomeric Smiles
- C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@@H]1CC(=O)C3=C)OC(=O)C2=C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3904
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chinensiolide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chinensiolide A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Chinensiolide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chinensiolide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
山苦荬
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN KU MAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
China Ixeris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山苦荬SHAN KU MAIChina Ixeris
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020325
Npass
NPC213597
Tcmid
3533
Pub Chem
639162
Tcmbank
TCMBANKIN046501
Etcm Ingredient
Chinensiolide A
Itcmdb Generated
ITX-INGREDIENT-64093F177EC4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h9-10,12-13,18H,1-2,4-6H2,3H3/t9-,10-,12-,13-,15+/m0/s1
Mol Wt
262.3049999999999
Mol Log P
1.3904
In Ch Ikey
ZFIYHRXIURBIFJ-KVUDVHCYSA-N
Tcm Name
山苦荬
Tcm Name2
SHAN KU MAI
Mol2 Path
/TCM_database/2007_3d_all/03533.mol2
Reference
4670
Num Hdonors
1
Tcm Name En
China Ixeris
Drug Likeness
0.529
Num Hacceptors
4
Isomeric Smiles
C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@@H]1CC(=O)C3=C)OC(=O)C2=C)O
Canonical Smiles
CC1(CCC2C(C3C1CC(=O)C3=C)OC(=O)C2=C)O
Molecular Weight
262.120
Molecular Formula
C15H18O4
Molecular Formula
C15H18O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.664
Quantitative Estimate Of Drug Likeness（Qed）
0.529