Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18729
- Core Entity Id
- 23995
- Source Entity Count
- 1
- Preferred Name
- Ethylleptol b
- Name En
- Pubchem Id
- 5317254
- Smiles Canonical
- CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC
- Molecular Formula
- C17H24O4
- Molecular Weight
- 292.3750
- Inchikey
- JFBJNSYQXGGCML-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H24O4/c1-7-20-11(2)15-14(18-5)10-13-12(16(15)19-6)8-9-17(3,4)21-13/h8-11H,7H2,1-6H3
- Isomeric Smiles
- CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.9855
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethylleptol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ethylleptol B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ethylleptol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethylleptol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ethylleptol b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
206200-57-9
Role
alias
Source
TCMBank
Preferred
No
Name
6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethyl-2H-chromene
Role
alias
Source
TCMBank
Preferred
No
Name
6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSVB6
Role
alias
Source
TCMBank
Preferred
No
Name
J3.623.547K
Role
alias
Source
TCMBank
Preferred
No
Name
Leptol D
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
206200-57-96-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethyl-2H-chromene6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromeneAC1NSVB6J3.623.547KLeptol D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025941
Npass
NPC87029
Tcmid
7455
Sym Map
SMIT15333
Pub Chem
5317254
Tcmbank
TCMBANKIN020491
Etcm Ingredient
Ethylleptol B
Itcmdb Generated
ITX-INGREDIENT-96F32D79C5FD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H24O4/c1-7-20-11(2)15-14(18-5)10-13-12(16(15)19-6)8-9-17(3,4)21-13/h8-11H,7H2,1-6H3
Mol Wt
292.3750000000001
Smiles
CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC
Mol Log P
3.985500000000004
Version
v1,v2
In Ch Ikey
JFBJNSYQXGGCML-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.822
Num Hacceptors
4
Isomeric Smiles
CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC
Canonical Smiles
CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC
Molecular Weight
292.170
Molecular Weight
292.4 g/mol
Molecule Formula
C17H24O4
Molecular Formula
C17H24O4
Molecular Formula
C17H24O4
Molecular Formula
C17H24O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.511
Quantitative Estimate Of Drug Likeness（Qed）
0.822