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
- 21930
- Core Entity Id
- 27560
- Source Entity Count
- 1
- Preferred Name
- Hysterone a
- Name En
- Pubchem Id
- 12115380
- Smiles Canonical
- CC1C2CCC(C3(C=CC(=O)C3(C2OC1=O)C)O)(C)O
- Molecular Formula
- C15H20O5
- Molecular Weight
- 280.3200
- Inchikey
- WFWURFRLTIPPGV-NHQBGTEVSA-N
- Inchi
- InChI=1S/C15H20O5/c1-8-9-4-6-13(2,18)15(19)7-5-10(16)14(15,3)11(9)20-12(8)17/h5,7-9,11,18-19H,4,6H2,1-3H3/t8-,9-,11+,13+,14-,15+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2CC[C@@]([C@@]3(C=CC(=O)[C@]3([C@@H]2OC1=O)C)O)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 0.5852
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hysterone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hysterone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hysterone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hysterone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
银胶菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN JIAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Pathenium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银胶菊YIN JIAO JUCommon Pathenium
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029887
Tcmid
10915
Pub Chem
12115380
Tcmbank
TCMBANKIN046377
Etcm Ingredient
Hysterone A
Itcmdb Generated
ITX-INGREDIENT-9757F0E2E7B0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O5/c1-8-9-4-6-13(2,18)15(19)7-5-10(16)14(15,3)11(9)20-12(8)17/h5,7-9,11,18-19H,4,6H2,1-3H3/t8-,9-,11+,13+,14-,15+/m0/s1
Mol Wt
280.32
Mol Log P
0.5851999999999997
In Ch Ikey
WFWURFRLTIPPGV-NHQBGTEVSA-N
Tcm Name
银胶菊
Tcm Name2
YIN JIAO JU
Mol2 Path
/TCM_database/2007_3d_all/10916.mol2
Reference
3462
Num Hdonors
2
Tcm Name En
Common Pathenium
Drug Likeness
0.634
Num Hacceptors
5
Isomeric Smiles
C[C@H]1[C@@H]2CC[C@@]([C@@]3(C=CC(=O)[C@]3([C@@H]2OC1=O)C)O)(C)O
Canonical Smiles
CC1C2CCC(C3(C=CC(=O)C3(C2OC1=O)C)O)(C)O
Molecular Weight
280.130
Molecular Weight
280.32 g/mol
Molecular Formula
C15H20O5
Molecular Formula
C15H20O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.729
Quantitative Estimate Of Drug Likeness（Qed）
0.634