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
- 8617
- Core Entity Id
- 12748
- Source Entity Count
- 1
- Preferred Name
- 7-senecioylheliotridine
- Name En
- Pubchem Id
- 91746480
- Smiles Canonical
- CC(=CC(=O)OC1CCN2C1C(=CC2)CO)C
- Molecular Formula
- C13H19NO3
- Molecular Weight
- 237.2990
- Inchikey
- JWVMHVYNWULPCC-WCQYABFASA-N
- Inchi
- InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1
- Isomeric Smiles
- CC(=CC(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 0.8710
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-senecioylheliotridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-senecioylheliotridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-senecioylheliotridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
JWVMHVYNWULPCC-WCQYABFASA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
JWVMHVYNWULPCC-WCQYABFASA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
JWVMHVYNWULPCC-WCQYABFASA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013483
Npass
NPC256882
Tcmid
37197
Pub Chem
91746480
Tcmbank
TCMBANKIN019486
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1
Mol Wt
237.299
Smiles
CC(=CC(=O)OC1CCN2C1C(=CC2)CO)C
Mol Log P
0.871
In Ch Ikey
JWVMHVYNWULPCC-WCQYABFASA-N
Num Hdonors
1
Drug Likeness
0.449
Num Hacceptors
4
Isomeric Smiles
CC(=CC(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO)C
Canonical Smiles
CC(=CC(=O)OC1CCN2C1C(=CC2)CO)C
Herb Alias Names
JWVMHVYNWULPCC-WCQYABFASA-N
Molecular Weight
237.29 g/mol
Molecular Formula
C13H19NO3
Molecular Formula
C13H19NO3
Num Rotatable Bonds
3