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
- 24411
- Core Entity Id
- 30322
- Source Entity Count
- 1
- Preferred Name
- Leptol b
- Name En
- Pubchem Id
- 5318972
- Smiles Canonical
- CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)O
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- MCAXVBIFXBGDNX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O4/c1-9(16)13-12(17-4)8-11-10(14(13)18-5)6-7-15(2,3)19-11/h6-9,16H,1-5H3
- Isomeric Smiles
- CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9413
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leptol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Leptol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leptol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
leptol b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032944
Npass
NPC44853
Tcmid
12667
Pub Chem
5318972
Tcmbank
TCMBANKIN012294
Etcm Ingredient
Leptol B
Itcmdb Generated
ITX-INGREDIENT-76C4E4C31135
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-9(16)13-12(17-4)8-11-10(14(13)18-5)6-7-15(2,3)19-11/h6-9,16H,1-5H3
Mol Wt
264.321
Smiles
CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)O
Mol Log P
2.941300000000001
In Ch Ikey
MCAXVBIFXBGDNX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.911
Num Hacceptors
4
Isomeric Smiles
CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)O
Canonical Smiles
CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)O
Herb Alias Names
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
Molecular Weight
264.140
Molecular Weight
264.32 g/mol
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.861
Quantitative Estimate Of Drug Likeness（Qed）
0.911