IngredientID 8021
(6z,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
C30H50
Relationship Network
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Herb: 12Ingredient: 1Links: 12
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8021
- Core Entity Id
- 12089
- Source Entity Count
- 1
- Preferred Name
- (6z,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
- Name En
- Pubchem Id
- 11975273
- Smiles Canonical
- CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
- Molecular Formula
- C30H50
- Molecular Weight
- 410.7300
- Inchikey
- YYGNTYWPHWGJRM-FLHYQJCXSA-N
- Inchi
- InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+
- Isomeric Smiles
- CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)/C)/C)C
- Cas Id
- 7683-64-9
- Ob Score
- 33.5459
- Mol Logp
- 10.6050
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.1860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(6Z,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-Hexaene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(6Z,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-Hexaene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6z,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(6z,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hydrosqualene
Role
alias
Source
HERB_v2
Preferred
No
Name
hydrosqualene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
hydrosqualene
Cross References
Trusted external identifiers retained for this final record.
Cas
7683-64-9
Herb
HBIN012837
Tcmsp
MOL002372
Sym Map
SMIT04627
Pub Chem
11975273
Tcmbank
TCMBANKIN015886
Etcm Ingredient
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Itcmdb Generated
ITX-INGREDIENT-D60EBE53F589
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+
Mol Wt
410.7300000000002
Cas Id
7683-64-9
Mol Log P
10.60499999999999
Version
v1,v2
In Ch Ikey
YYGNTYWPHWGJRM-FLHYQJCXSA-N
Ob Score
33.5459426433.54594333.546
Suppress
0
Num Hdonors
0
Drug Likeness
0.186
Num Hacceptors
0
Isomeric Smiles
CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)/C)/C)C
Molecule Weight
410.8
Canonical Smiles
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
Herb Alias Names
hydrosqualene
Molecular Weight
410.390
Molecular Weight
410.72
Molecular Formula
C30H50
Molecular Formula
C30H50
Molecular Formula
C30H50
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.186