Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7787
- Core Entity Id
- 11831
- Source Entity Count
- 1
- Preferred Name
- 6-methyl tritriacontane
- Name En
- Pubchem Id
- 5319806
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
- Molecular Formula
- C34H70
- Molecular Weight
- 478.9340
- Inchikey
- FTNIRHVBDIZYHN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C34H70/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-34(3)32-30-7-5-2/h34H,4-33H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
- Cas Id
- Ob Score
- 9.1640
- Mol Logp
- 13.3653
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 30
- Drug Likeness
- 0.0900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Methyl tritriacontane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Methyl-Tritriacontane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-methyl tritriacontane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-methyl tritriacontane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methyl tritriacontane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-methyl-tritriacontane
Role
alias
Source
TCMBank
Preferred
No
Name
6-methyltritriacontane
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methyltritriacontane
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSYNG
Role
alias
Source
TCMBank
Preferred
No
Name
FTNIRHVBDIZYHN-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
FTNIRHVBDIZYHN-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
FTNIRHVBDIZYHN-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-Methyl-Tritriacontane6-methyltritriacontaneAC1NSYNGFTNIRHVBDIZYHN-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012574
Npass
NPC95064
Tcmid
14786
Tcmsp
MOL012103
Sym Map
SMIT01154
Pub Chem
5319806
Tcmbank
TCMBANKIN028798
Etcm Ingredient
6-Methyl tritriacontane
Itcmdb Generated
ITX-INGREDIENT-EDAEE226B4F4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C34H70/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-34(3)32-30-7-5-2/h34H,4-33H2,1-3H3
Mol Wt
478.9340000000005
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Mol Log P
13.36529999999997
Version
v1
In Ch Ikey
FTNIRHVBDIZYHN-UHFFFAOYSA-N
Ob Score
9.1649.1641889.164188211
Suppress
0
Num Hdonors
0
Drug Likeness
0.09
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Molecule Weight
479.04
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Herb Alias Names
6-methyltritriacontaneFTNIRHVBDIZYHN-UHFFFAOYSA-N
Molecular Weight
484.590
Molecular Weight
478.9 g/mol
Molecule Formula
C34H70
Molecular Formula
C34H76
Molecular Formula
C34H70
Molecular Formula
C34H70
Num Rotatable Bonds
30
Fda Maximum Daily Dose (Fdamdd)
0.151
Quantitative Estimate Of Drug Likeness（Qed）
0.314