Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24369
- Core Entity Id
- 30274
- Source Entity Count
- 1
- Preferred Name
- Leonotin
- Name En
- Pubchem Id
- 101306752
- Smiles Canonical
- CC12CCCC3(C1C(CC(C3(CCC4=COC=C4)O)(C)O)OC2=O)C
- Molecular Formula
- C20H28O5
- Molecular Weight
- 348.4390
- Inchikey
- FJNCXZZQNBKEJT-LIFSKISDSA-N
- Inchi
- InChI=1S/C20H28O5/c1-17-7-4-8-18(2)15(17)14(25-16(17)21)11-19(3,22)20(18,23)9-5-13-6-10-24-12-13/h6,10,12,14-15,22-23H,4-5,7-9,11H2,1-3H3/t14-,15?,17+,18+,19+,20+/m1/s1
- Isomeric Smiles
- C[C@]12CCC[C@]3(C1[C@@H](C[C@]([C@@]3(CCC4=COC=C4)O)(C)O)OC2=O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8361
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leonotin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Leonotin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leonotin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leonotin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
细叶益母草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XI YE YI MU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Siberian Motherwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
细叶益母草XI YE YI MU CAOSiberian Motherwort
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032896
Npass
NPC65090
Tcmid
12634
Pub Chem
101306752
Tcmbank
TCMBANKIN042395
Etcm Ingredient
Leonotin
Itcmdb Generated
ITX-INGREDIENT-4EDD8CD39B5C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O5/c1-17-7-4-8-18(2)15(17)14(25-16(17)21)11-19(3,22)20(18,23)9-5-13-6-10-24-12-13/h6,10,12,14-15,22-23H,4-5,7-9,11H2,1-3H3/t14-,15?,17+,18+,19+,20+/m1/s1
Mol Wt
348.4390000000001
Mol Log P
2.836100000000002
In Ch Ikey
FJNCXZZQNBKEJT-LIFSKISDSA-N
Tcm Name
细叶益母草
Tcm Name2
XI YE YI MU CAO
Mol2 Path
/TCM_database/2007_3d_all/12639.mol2
Reference
4328
Num Hdonors
2
Tcm Name En
Siberian Motherwort
Drug Likeness
0.821
Num Hacceptors
5
Isomeric Smiles
C[C@]12CCC[C@]3(C1[C@@H](C[C@]([C@@]3(CCC4=COC=C4)O)(C)O)OC2=O)C
Canonical Smiles
CC12CCCC3(C1C(CC(C3(CCC4=COC=C4)O)(C)O)OC2=O)C
Molecular Weight
348.190
Molecular Weight
348.4 g/mol
Molecular Formula
C20H28O5
Molecular Formula
C20H28O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.891
Quantitative Estimate Of Drug Likeness（Qed）
0.821