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
- 32628
- Core Entity Id
- 39457
- Source Entity Count
- 1
- Preferred Name
- Sarmentamide a
- Name En
- Pubchem Id
- 11528614
- Smiles Canonical
- C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
- Molecular Formula
- C13H13NO2
- Molecular Weight
- 215.2520
- Inchikey
- QRHSSWNCBJFZGH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-7H,8-10H2
- Isomeric Smiles
- C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 1.5442
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarmentamide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sarmentamide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sarmentamide a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043164
Npass
NPC47486
Tcmid
19353
Pub Chem
11528614
Tcmbank
TCMBANKIN046665
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-7H,8-10H2
Mol Wt
215.252
Smiles
C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
Mol Log P
1.5442
In Ch Ikey
QRHSSWNCBJFZGH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/19368.mol2
Reference
973
Num Hdonors
0
Drug Likeness
0.767
Num Hacceptors
2
Isomeric Smiles
C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
Canonical Smiles
C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
Molecular Formula
C13H13NO2
Molecular Formula
C13H13NO2
Num Rotatable Bonds
3