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: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38735
- Core Entity Id
- 67433
- Source Entity Count
- 1
- Preferred Name
- 15-epileoheteronone e
- Name En
- Pubchem Id
- 101774203
- Smiles Canonical
- CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)C
- Molecular Formula
- C22H34O6
- Molecular Weight
- 394.5080
- Inchikey
- PYWYXDQVIHVOOS-PQFIYUSLSA-N
- Inchi
- InChI=1S/C22H34O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15,17,25H,6-13H2,1-5H3/t15-,17-,19-,20-,21-,22-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@]1(C(=O)C[C@@H]2[C@@]([C@@]13CC[C@]4(O3)C[C@H](OC4)O)(CCCC2(C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.1403
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
15-Epileoheteronone E
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
15-Epileoheteronone E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
15-Epileoheteronone E
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
15-Epileoheteronone E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15-epileoheteronone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
15-epileoheteronone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
益母草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI MU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wormwood-like Motherwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Leoheteronone E
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leoheteronone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
leoheteronone e
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leopersin B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leopersin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
leopersin b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15-Epileopersin B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
15-epileopersin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
益母草YI MU CAOWormwood-like MotherwortLeoheteronone ELeopersin B15-Epileopersin B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001671HBIN032890HBIN032912HBIN001672
Npass
NPC152276NPC286219NPC109688NPC285494
Tcmid
694412631126436945
Sym Map
SMIT15261SMIT16273SMIT16274SMIT15262
Pub Chem
101774203101774202101685533101685704
Tcmbank
TCMBANKIN050483TCMBANKIN038484TCMBANKIN046485TCMBANKIN042803
Etcm Ingredient
15-Epileoheteronone ELeoheteronone ELeopersin B15-Epileopersin B
Itcmdb Generated
ITX-INGREDIENT-A11730536F5AITX-INGREDIENT-324E41AED47AITX-INGREDIENT-7B3D8ECD1240ITX-INGREDIENT-C3AB8CD78819
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H34O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15,17,25H,6-13H2,1-5H3/t15-,17-,19-,20-,21-,22-/m0/s1
Mol Wt
394.5080000000002
Smiles
CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)C
Mol Log P
3.140300000000002
Version
v1,v2
In Ch Ikey
PYWYXDQVIHVOOS-PQFIYUSLSA-N
Suppress
0
Tcm Name
益母草
Tcm Name2
YI MU CAO
Mol2 Path
/TCM_database/2007_3d_all/06945.mol2
Reference
4534
Num Hdonors
1
Tcm Name En
Wormwood-like Motherwort
Drug Likeness
0.688
Num Hacceptors
6
Isomeric Smiles
CC(=O)O[C@]1(C(=O)C[C@@H]2[C@@]([C@@]13CC[C@]4(O3)C[C@H](OC4)O)(CCCC2(C)C)C)C
Canonical Smiles
CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)C
Molecular Weight
394.240
Molecular Weight
394.5 g/mol
Molecule Formula
C22H34O6
Molecular Formula
C22H34O6
Molecular Formula
C22H34O6
Molecular Formula
C22H34O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.940
Quantitative Estimate Of Drug Likeness（Qed）
0.688