Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6881
- Core Entity Id
- 10828
- Source Entity Count
- 1
- Preferred Name
- 5-cis-cyclopentadecen-1-one
- Name En
- Pubchem Id
- 11183661
- Smiles Canonical
- C1CCCCC=CCCCC(=O)CCCC1
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- RSLTVQQROJUNCD-FNORWQNLSA-N
- Inchi
- InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h5,7H,1-4,6,8-14H2/b7-5+
- Isomeric Smiles
- C1CCCC/C=C/CCCC(=O)CCCC1
- Cas Id
- Ob Score
- Mol Logp
- 4.8065
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Cis-Cyclopentadecen-1-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-cis-Cyclopentadecen-1-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-cis-cyclopentadecen-1-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-cis-cyclopentadecen-1-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-cis-cyclopentadecen-1-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL2197364
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2197364
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL2197364
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011503
Npass
NPC65926
Tcmid
4523
Sym Map
SMIT21696
Pub Chem
11183661
Tcmbank
TCMBANKIN023467
Etcm Ingredient
5-cis-Cyclopentadecen-1-one
Itcmdb Generated
ITX-INGREDIENT-6C29B4141D72ITX-INGREDIENT-858BEB679AB8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h5,7H,1-4,6,8-14H2/b7-5+
Mol Wt
222.3719999999999
Smiles
C1CCCCC=CCCCC(=O)CCCC1
Mol Log P
4.806500000000004
Version
v2
In Ch Ikey
RSLTVQQROJUNCD-FNORWQNLSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.538
Num Hacceptors
1
Isomeric Smiles
C1CCCC/C=C/CCCC(=O)CCCC1
Canonical Smiles
C1CCCCC=CCCCC(=O)CCCC1
Herb Alias Names
SCHEMBL2197364
Molecular Weight
222.200
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.190
Quantitative Estimate Of Drug Likeness（Qed）
0.538