Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33172
- Core Entity Id
- 40064
- Source Entity Count
- 1
- Preferred Name
- Sessilifoliamide b
- Name En
- Pubchem Id
- 12116760
- Smiles Canonical
- CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C
- Molecular Formula
- C17H27NO3
- Molecular Weight
- 293.4070
- Inchikey
- YUNHIIHOHQDVJJ-SEBNEYGDSA-N
- Inchi
- InChI=1S/C17H27NO3/c1-3-12(15-10-11(2)17(20)21-15)13-6-4-5-9-18-14(13)7-8-16(18)19/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15+/m1/s1
- Isomeric Smiles
- CC[C@@H]([C@H]1CCCCN2[C@H]1CCC2=O)[C@@H]3C[C@H](C(=O)O3)C
- Cas Id
- Ob Score
- 17.1770
- Mol Logp
- 2.7553
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sessilifoliamide B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sessilifoliamide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sessilifoliamide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sessilifoliamide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
sessilifoliamide B
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043829
Npass
NPC46538
Tcmsp
MOL009413
Sym Map
SMIT10544
Pub Chem
12116760
Tcmbank
TCMBANKIN018273
Etcm Ingredient
sessilifoliamide B
Itcmdb Generated
ITX-INGREDIENT-EB53B08D5DD1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H27NO3/c1-3-12(15-10-11(2)17(20)21-15)13-6-4-5-9-18-14(13)7-8-16(18)19/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15+/m1/s1
Mol Wt
293.407
Smiles
CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C
Mol Log P
2.755300000000001
Version
v1,v2
In Ch Ikey
YUNHIIHOHQDVJJ-SEBNEYGDSA-N
Ob Score
17.17717.17710617.17710617
Suppress
0
Num Hdonors
0
Drug Likeness
0.752
Num Hacceptors
3
Isomeric Smiles
CC[C@@H]([C@H]1CCCCN2[C@H]1CCC2=O)[C@@H]3C[C@H](C(=O)O3)C
Molecule Weight
293.45
Canonical Smiles
CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C
Molecular Weight
293.200
Molecular Weight
293.4 g/mol
Molecular Formula
C17H27NO3
Molecular Formula
C17H27NO3
Molecular Formula
C17H27NO3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.635
Quantitative Estimate Of Drug Likeness（Qed）
0.752