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
- 9151
- Core Entity Id
- 13337
- Source Entity Count
- 1
- Preferred Name
- 9-ethyl heptadecane
- Name En
- Pubchem Id
- 529995
- Smiles Canonical
- CCCCCCCCC(CC)CCCCCCCC
- Molecular Formula
- C19H40
- Molecular Weight
- 268.5290
- Inchikey
- VRMRELGJELWKSV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H40/c1-4-7-9-11-13-15-17-19(6-3)18-16-14-12-10-8-5-2/h19H,4-18H2,1-3H3
- Isomeric Smiles
- CCCCCCCCC(CC)CCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 7.5138
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Ethyl heptadecane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-ethyl heptadecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-ethyl heptadecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-ethylheptadecane
Role
alias
Source
HERB_v2
Preferred
No
Name
9-ethylheptadecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Heptadecane, 9-ethyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptadecane, 9-ethyl
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
9-ethylheptadecaneHeptadecane, 9-ethyl
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014096
Tcmid
33234
Pub Chem
529995
Tcmbank
TCMBANKIN011971
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H40/c1-4-7-9-11-13-15-17-19(6-3)18-16-14-12-10-8-5-2/h19H,4-18H2,1-3H3
Mol Wt
268.5289999999999
Smiles
CCCCCCCCC(CC)CCCCCCCC
Mol Log P
7.513800000000008
In Ch Ikey
VRMRELGJELWKSV-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.269
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCC(CC)CCCCCCCC
Canonical Smiles
CCCCCCCCC(CC)CCCCCCCC
Herb Alias Names
Heptadecane, 9-ethyl9-ethylheptadecane9-ethyl-heptadecane
Molecular Weight
268.5 g/mol
Molecular Formula
C19H40
Molecular Formula
C19H40
Num Rotatable Bonds
15