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
- 4422
- Core Entity Id
- 8103
- Source Entity Count
- 1
- Preferred Name
- 3-hexadecene,(z)-
- Name En
- Pubchem Id
- 5364494
- Smiles Canonical
- CCCCCCCCCCCCC=CCC
- Molecular Formula
- C16H32
- Molecular Weight
- 224.4320
- Inchikey
- QIZDLUWRENVVJW-ALCCZGGFSA-N
- Inchi
- InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-16H2,1-2H3/b7-5-
- Isomeric Smiles
- CCCCCCCCCCCC/C=C\CC
- Cas Id
- Ob Score
- Mol Logp
- 6.2636
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.2710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hexadecene,(Z)-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hexadecene,(z)-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hexadecene,(z)-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3Z)-3-Hexadecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3Z)-3-Hexadecene
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-Hexadecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3-Hexadecene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hexadecene, (3Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hexadecene, (3Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hexadecene, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hexadecene, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
34303-81-6
Role
alias
Source
HERB_v2
Preferred
No
Name
34303-81-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27290783
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27290783
Role
alias
Source
itcmdb_public
Preferred
No
Name
U767201ISR
Role
alias
Source
HERB_v2
Preferred
No
Name
U767201ISR
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-U767201ISR
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-U767201ISR
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-3-Hexadecene
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-3-Hexadecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hexadecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hexadecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-Hexadecene, (3E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hexadecene, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4EYH0I4QGP
Role
alias
Source
HERB_v2
Preferred
No
Name
53137-44-3
Role
alias
Source
HERB_v2
Preferred
No
Name
74533-95-2
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-4EYH0I4QGP
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-3-Hexadecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-hexadec-3-ene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3Z)-3-Hexadecene(Z)-3-Hexadecene3-Hexadecene, (3Z)-3-Hexadecene, (Z)-34303-81-6Q27290783U767201ISRUNII-U767201ISRcis-3-Hexadecene3-Hexadecene3-Hexadecene, (3E)-3-Hexadecene, (E)-4EYH0I4QGP53137-44-374533-95-2UNII-4EYH0I4QGPtrans-3-Hexadecenetrans-hexadec-3-ene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008582HBIN009749HBIN008581
Npass
NPC106729
Tcmid
409923389236215
Pub Chem
53644945352251
Tcmbank
TCMBANKIN061025TCMBANKIN021361
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-16H2,1-2H3/b7-5-
Mol Wt
224.432
Smiles
CCCCCCCCCCCCC=CCC
Mol Log P
6.263600000000006
In Ch Ikey
QIZDLUWRENVVJW-ALCCZGGFSA-N
Num Hdonors
0
Drug Likeness
0.271
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCC/C=C\CC
Canonical Smiles
CCCCCCCCCCCCC=CCC
Herb Alias Names
3-Hexadecene, (Z)-cis-3-Hexadecene3-Hexadecene, (3Z)-(Z)-3-Hexadecene(3Z)-3-HexadeceneUNII-U767201ISR34303-81-6U767201ISRQ27290783
Molecular Weight
224.42 g/mol
Molecular Formula
C16H32
Molecular Formula
C16H32
Num Rotatable Bonds
12