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
- 51741
- Core Entity Id
- 94752
- Source Entity Count
- 1
- Preferred Name
- opposit-4(15)-ene-1β,11-diol
- Name En
- Pubchem Id
- 76392036
- Smiles Canonical
- C=C1CCC(O)C2(C)CCC(CC(C)(C)O)C12
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.1900
- Inchikey
- UACKNRNYUIAHPT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.4000
- 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
Opposit-4(15)-ene-1β,11-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
opposit-4(15)-ene-1β,11-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN041037
Etcm Ingredient
Opposit-4(15)-ene-1β,11-diol
Itcmdb Generated
ITX-INGREDIENT-FA06FD554657
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC12CCC(C1C(=C)CCC2O)CC(C)(C)O
Mol2 Path
/TCM_database/2007_3d_all/16156.mol2
Reference
4338
Molecular Weight
238.190
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Fda Maximum Daily Dose (Fdamdd)
0.629
Quantitative Estimate Of Drug Likeness（Qed）
0.726