Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21260
- Core Entity Id
- 26818
- Source Entity Count
- 1
- Preferred Name
- Heptadecene
- Name En
- Pubchem Id
- 23217
- Smiles Canonical
- CCCCCCCCCCCCCCCC=C
- Molecular Formula
- C17H34
- Molecular Weight
- 238.4590
- Inchikey
- ADOBXTDBFNCOBN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC=C
- Cas Id
- 64743-02-8
- Ob Score
- 20.0330
- Mol Logp
- 6.6537
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptadecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heptadecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heptadecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-HEPTADECENE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-HEPTADECENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
26266-05-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
26266-05-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6765-39-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
6765-39-5
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 229-825-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 229-825-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 247-567-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 247-567-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexahydroaplotaxene
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexahydroaplotaxene
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00009000
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00009000
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-P33057D09T
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-P33057D09T
Role
alias
Source
itcmdb_public
Preferred
No
Name
heptadec-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
heptadec-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-HEPTADECENE26266-05-76765-39-5EINECS 229-825-6EINECS 247-567-2HexahydroaplotaxeneMFCD00009000UNII-P33057D09Theptadec-1-ene
Cross References
Trusted external identifiers retained for this final record.
Cas
64743-02-8
Herb
HBIN029086HBIN002570HBIN029300
Npass
NPC195000
Tcmid
328713287293849496
Tcmsp
MOL001565
Sym Map
SMIT03959SMIT15723
Tcm Id
247379202
Pub Chem
23217
Tcmbank
TCMBANKIN061079
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
Mol Wt
238.4589999999999
Cas Id
64743-02-8
Smiles
CCCCCCCCCCCCCCCC=C
Mol Log P
6.653700000000007
Version
v1,v2
In Ch Ikey
ADOBXTDBFNCOBN-UHFFFAOYSA-N
Ob Score
20.03320.03318493
Suppress
0
Num Hdonors
0
Drug Likeness
0.235
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCC=C
Molecule Weight
238.51
Canonical Smiles
CCCCCCCCCCCCCCCC=C
Herb Alias Names
1-HEPTADECENEheptadec-1-ene6765-39-5Hexahydroaplotaxene26266-05-7UNII-P33057D09TEINECS 229-825-6EINECS 247-567-2MFCD00009000
Molecular Weight
238.5 g/mol
Molecular Formula
C17H34
Molecular Formula
C17H34
Num Rotatable Bonds
14