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
- 51469
- Core Entity Id
- 94480
- Source Entity Count
- 1
- Preferred Name
- (7r*)-opposit-4(15)-ene-1β,7-diol
- Name En
- Pubchem Id
- 73814466
- Smiles Canonical
- C=C1CCC(O)C2(C)CCC(C(O)C(C)C)C12
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.1900
- Inchikey
- OZBVMKPZPKMEGY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(7R*)-Opposit-4(15)-ene-1β,7-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(7r*)-opposit-4(15)-ene-1β,7-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
一年蓬
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI NIAN PENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Annual Fleabane
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
一年蓬YI NIAN PENGAnnual Fleabane
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN039218TCMBANKIN059155
Etcm Ingredient
(7R*)-Opposit-4(15)-ene-1β,7-diol
Itcmdb Generated
ITX-INGREDIENT-1C3AF13148EBITX-INGREDIENT-7BD731D5A3E3
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC(C)C(C1CCC2(C1C(=C)CCC2O)C)O
Tcm Name
一年蓬
Tcm Name2
YI NIAN PENG
Mol2 Path
/TCM_database/2007_3d_all/16155.mol2
Reference
4338
Tcm Name En
Annual Fleabane
Molecular Weight
238.190
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Fda Maximum Daily Dose (Fdamdd)
0.442
Quantitative Estimate Of Drug Likeness（Qed）
0.726