Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35018
- Core Entity Id
- 42109
- Source Entity Count
- 1
- Preferred Name
- Tetratetracontane
- Name En
- Pubchem Id
- 23494
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C44H90
- Molecular Weight
- 619.2040
- Inchikey
- KMXFZRSJMDYPPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- 7098-22-8
- Ob Score
- 7.8177
- Mol Logp
- 17.4104
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 41
- Drug Likeness
- 0.0600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
TETRATETRACONTANE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tetratetracontane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetratetracontane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetratetracontane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
358746_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
442709_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
48598_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
7098-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
7098-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7098-22-8
Role
alias
Source
TCMBank
Preferred
No
Name
88143_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
88144_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-36493
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-36493
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-36493
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID5058640
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID5058640
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 230-407-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 230-407-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 230-407-0
Role
alias
Source
TCMBank
Preferred
No
Name
FPX2NM4VIT
Role
alias
Source
itcmdb_public
Preferred
No
Name
FPX2NM4VIT
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 102262
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 102262
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-102262
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetratetracontane
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-FPX2NM4VIT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-FPX2NM4VIT
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Tetratetracontane
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Tetratetracontane
Role
alias
Source
TCMBank
Preferred
No
Name
n-Tetratetracontane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
358746_ALDRICH442709_SUPELCO48598_SUPELCO7098-22-888143_FLUKA88144_FLUKAAI3-36493DTXSID5058640EINECS 230-407-0FPX2NM4VITNSC 102262NSC-102262UNII-FPX2NM4VITn-Tetratetracontane
Cross References
Trusted external identifiers retained for this final record.
Cas
7098-22-8
Herb
HBIN046122
Npass
NPC50100
Tcmid
32874
Tcmsp
MOL005224
Sym Map
SMIT07014
Pub Chem
23494
Tcmbank
TCMBANKIN034877
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
Mol Wt
619.2040000000002
Cas Id
7098-22-8
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
17.41039999999997
Version
v1,v2
In Ch Ikey
KMXFZRSJMDYPPG-UHFFFAOYSA-N
Ob Score
7.8176999897.81777.818
Suppress
0
Num Hdonors
0
Drug Likeness
0.06
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Molecule Weight
619.34
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
n-Tetratetracontane7098-22-8FPX2NM4VITUNII-FPX2NM4VITEINECS 230-407-0NSC 102262NSC-102262AI3-36493DTXSID5058640
Molecular Weight
619.19
Molecular Formula
C44H90
Molecular Formula
C44H90
Num Rotatable Bonds
41