Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28270
- Core Entity Id
- 34608
- Source Entity Count
- 1
- Preferred Name
- Octylene
- Name En
- Pubchem Id
- 8125
- Smiles Canonical
- CCCCCCC=C
- Molecular Formula
- C8H16
- Molecular Weight
- 112.2160
- Inchikey
- KWKAKUADMBZCLK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
- Isomeric Smiles
- CCCCCCC=C
- Cas Id
- 68526-54-5
- Ob Score
- 39.2490
- Mol Logp
- 3.1428
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octylene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Octylene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octylene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-OCTENE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-OCTENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Octylene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Octylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
111-66-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
111-66-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Caprylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caprylene
Role
alias
Source
HERB_v2
Preferred
No
Name
OCTENE-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
OCTENE-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Oct-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oct-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Octene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Octene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Octene
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-1-Octene
Role
alias
Source
HERB_v2
Preferred
No
Name
n-1-Octene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octylene;1-octene
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-OCTENE1-Octylene111-66-0CapryleneOCTENE-1Oct-1-eneOctenealpha-Octenen-1-OcteneOctylene;1-octene
Cross References
Trusted external identifiers retained for this final record.
Cas
68526-54-5
Herb
HBIN037812HBIN002888
Npass
NPC88325
Tcmid
15971
Tcmsp
MOL006935
Sym Map
SMIT08472SMIT16972
Tcm Id
2145
Pub Chem
8125
Tcmbank
TCMBANKIN060903
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
Mol Wt
112.216
Cas Id
68526-54-5
Smiles
CCCCCCC=C
Mol Log P
3.142800000000002
Version
v1,v2
In Ch Ikey
KWKAKUADMBZCLK-UHFFFAOYSA-N
Ob Score
39.24939.24912688
Suppress
0
Num Hdonors
0
Drug Likeness
0.378
Num Hacceptors
0
Isomeric Smiles
CCCCCCC=C
Molecule Weight
112.24
Canonical Smiles
CCCCCCC=C
Herb Alias Names
1-OCTENEOct-1-ene111-66-0CapryleneOctenen-1-Octene1-Octylenealpha-OcteneOCTENE-1
Molecular Weight
112.21 g/mol
Molecular Formula
C8H16
Molecular Formula
C8H16
Num Rotatable Bonds
5