Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8863
- Core Entity Id
- 13019
- Source Entity Count
- 1
- Preferred Name
- 8-heptadecene
- Name En
- Pubchem Id
- 5364555
- Smiles Canonical
- CCCCCCCCC=CCCCCCCC
- Molecular Formula
- C17H34
- Molecular Weight
- 238.4590
- Inchikey
- BIQKRILZMDQPHI-BMRADRMJSA-N
- Inchi
- InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15,17H,3-14,16H2,1-2H3/b17-15+
- Isomeric Smiles
- CCCCCCCC/C=C/CCCCCCC
- Cas Id
- 16369-12-3
- Ob Score
- 4.8599
- Mol Logp
- 6.6537
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.2490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Heptadecene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Heptadecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-Heptadecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-heptadecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-heptadecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(8E)-8-Heptadecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8E)-8-Heptadecene
Role
alias
Source
HERB_v2
Preferred
No
Name
(8E)-8-Heptadecene
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-heptadec-8-ene
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-heptadec-8-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-heptadec-8-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
16369-12-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
16369-12-3
Role
alias
Source
HERB_v2
Preferred
No
Name
16416-42-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
16416-42-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2579-04-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2579-04-6
Role
alias
Source
HERB_v2
Preferred
No
Name
51667_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
8-Heptadecene, (8E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Heptadecene, (8E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
8-heptadecene
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00060976
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00060976
Role
alias
Source
itcmdb_public
Preferred
No
Name
heptadec-8-ene
Role
alias
Source
TCMBank
Preferred
No
Name
trans-heptadec-8-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-heptadec-8-ene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(8E)-8-Heptadecene(E)-heptadec-8-ene16369-12-316416-42-52579-04-651667_FLUKA8-Heptadecene, (8E)-MFCD00060976heptadec-8-enetrans-heptadec-8-ene
Cross References
Trusted external identifiers retained for this final record.
Cas
16369-12-3
Herb
HBIN013749
Npass
NPC207643
Tcmid
3328334887
Tcmsp
MOL001572
Sym Map
SMIT03964
Pub Chem
5364555
Tcmbank
TCMBANKIN024618
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/h15,17H,3-14,16H2,1-2H3/b17-15+
Mol Wt
238.4589999999999
Cas Id
16369-12-3
Smiles
CCCCCCCCC=CCCCCCCC
Mol Log P
6.653700000000007
Version
v1,v2
In Ch Ikey
BIQKRILZMDQPHI-BMRADRMJSA-N
Ob Score
4.8598627024.8598634.86
Suppress
0
Num Hdonors
0
Drug Likeness
0.249
Num Hacceptors
0
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCC
Molecule Weight
238.51
Canonical Smiles
CCCCCCCCC=CCCCCCCC
Herb Alias Names
(E)-heptadec-8-ene16369-12-38-Heptadecene, (8E)-2579-04-616416-42-5MFCD00060976trans-heptadec-8-ene(8E)-8-Heptadecene(8E)-8-Heptadecene #
Molecular Weight
238.45
Molecular Formula
C17H34
Molecular Formula
C17H34
Num Rotatable Bonds
13