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
- 24412
- Core Entity Id
- 30323
- Source Entity Count
- 1
- Preferred Name
- Leptopidine
- Name En
- Pubchem Id
- 5318973
- Smiles Canonical
- C[N+]1=C(C2=CC3=C(C=C2CC1)OCO3)CC4=C(C(=C(C=C4)OC)O)C(=O)O
- Molecular Formula
- C20H20NO6+
- Molecular Weight
- 370.3810
- Inchikey
- SXLFERPVSBEKKI-UHFFFAOYSA-O
- Inchi
- InChI=1S/C20H19NO6/c1-21-6-5-11-8-16-17(27-10-26-16)9-13(11)14(21)7-12-3-4-15(25-2)19(22)18(12)20(23)24/h3-4,8-9H,5-7,10H2,1-2H3,(H-,22,23,24)/p+1
- Isomeric Smiles
- C[N+]1=C(C2=CC3=C(C=C2CC1)OCO3)CC4=C(C(=C(C=C4)OC)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0579
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leptopidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leptopidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
leptopidine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032945
Npass
NPC300507
Tcmid
12668
Pub Chem
5318973
Tcmbank
TCMBANKIN000507
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H19NO6/c1-21-6-5-11-8-16-17(27-10-26-16)9-13(11)14(21)7-12-3-4-15(25-2)19(22)18(12)20(23)24/h3-4,8-9H,5-7,10H2,1-2H3,(H-,22,23,24)/p+1
Mol Wt
370.381
Smiles
C[N+]1=C(C2=CC3=C(C=C2CC1)OCO3)CC4=C(C(=C(C=C4)OC)O)C(=O)O
Mol Log P
2.0579
In Ch Ikey
SXLFERPVSBEKKI-UHFFFAOYSA-O
Num Hdonors
2
Drug Likeness
0.801
Num Hacceptors
5
Isomeric Smiles
C[N+]1=C(C2=CC3=C(C=C2CC1)OCO3)CC4=C(C(=C(C=C4)OC)O)C(=O)O
Canonical Smiles
C[N+]1=C(C2=CC3=C(C=C2CC1)OCO3)CC4=C(C(=C(C=C4)OC)O)C(=O)O
Molecular Weight
370.4 g/mol
Molecular Formula
C20H20NO6+
Molecular Formula
C20H20NO6+
Num Rotatable Bonds
4