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
- 25986
- Core Entity Id
- 32077
- Source Entity Count
- 1
- Preferred Name
- Methyl-1-pentadecen
- Name En
- Pubchem Id
- 10889990
- Smiles Canonical
- CCCCCCCCCCCC(=O)C(C)C=C
- Molecular Formula
- C16H30O
- Molecular Weight
- 238.4150
- Inchikey
- JTYTVZXJCNXSPF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H30O/c1-4-6-7-8-9-10-11-12-13-14-16(17)15(3)5-2/h5,15H,2,4,6-14H2,1,3H3
- Isomeric Smiles
- CCCCCCCCCCCC(=O)C(C)C=C
- Cas Id
- Ob Score
- Mol Logp
- 5.2985
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.3330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl-1-Pentadecen
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Methyl-1-Pentadecen
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl-1-pentadecen
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl-1-pentadecen
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl-1-pentadecen
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034896
Npass
NPC123402
Tcmid
32497
Sym Map
SMIT25414
Pub Chem
10889990
Tcmbank
TCMBANKIN005539
Itcmdb Generated
ITX-INGREDIENT-DB4B8A69CCD5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H30O/c1-4-6-7-8-9-10-11-12-13-14-16(17)15(3)5-2/h5,15H,2,4,6-14H2,1,3H3
Mol Wt
238.415
Smiles
CCCCCCCCCCCC(=O)C(C)C=C
Mol Log P
5.298500000000005
Version
v2
In Ch Ikey
JTYTVZXJCNXSPF-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.333
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCC(=O)C(C)C=C
Canonical Smiles
CCCCCCCCCCCC(=O)C(C)C=C
Molecular Formula
C16H30O
Molecular Formula
C16H30O
Num Rotatable Bonds
12