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: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41004
- Core Entity Id
- 84015
- Source Entity Count
- 1
- Preferred Name
- 11Β-Hydroxy-12-Epilycodoline
- Name En
- Pubchem Id
- 162964013
- Smiles Canonical
- CC1CC2CC(=O)C3CCCN4CCC(O)C2(O)C34C1
- Molecular Formula
- C16H25NO3
- Molecular Weight
- 279.1800
- Inchikey
- CNQHRDIGDUNBBH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H25NO3/c1-10-7-11-8-13(18)12-3-2-5-17-6-4-14(19)16(11,20)15(12,17)9-10/h10-12,14,19-20H,2-9H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 60.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11Β-Hydroxy-12-Epilycodoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
11β-hydroxy-12-epilycodoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
11β-hydroxy-12-epilycodoline
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20336
Tcmbank
TCMBANKIN003030
Etcm Ingredient
11β-hydroxy-12-epilycodoline
Itcmdb Generated
ITX-INGREDIENT-386B66D4B5C6ITX-INGREDIENT-A4219AA20FD7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2(C(CC4)O)O
Version
v2
Suppress
0
Molecular Weight
279.180
Molecular Formula
C16H25NO3
Molecular Formula
C16H25NO3
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.693