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
- 52290
- Core Entity Id
- 95301
- Source Entity Count
- 1
- Preferred Name
- 11Β,13-Dihydro-3-Epizaluzanin C
- Name En
- Pubchem Id
- 14314698
- Smiles Canonical
- C=C1CCC2C(C)C(=O)OC2C2C(=C)C(O)CC12
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.1400
- Inchikey
- DOTNUPYMOWSLMW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8,10-14,16H,1,3-6H2,2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11Β,13-Dihydro-3-Epizaluzanin C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
11β,13-Dihydro-3-epizaluzanin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
11β,13-dihydro-3-epizaluzanin c
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN044648
Etcm Ingredient
11β,13-Dihydro-3-epizaluzanin C
Itcmdb Generated
ITX-INGREDIENT-AD8BABA587AA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/05607.mol2
Reference
4720
Molecular Weight
248.140
Molecule Formula
C15H20O3
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Fda Maximum Daily Dose (Fdamdd)
0.877
Quantitative Estimate Of Drug Likeness（Qed）
0.527