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
- 7780
- Core Entity Id
- 11824
- Source Entity Count
- 1
- Preferred Name
- 6-methyl-dotriacontane
- Name En
- Pubchem Id
- 6431085
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
- Molecular Formula
- C33H68
- Molecular Weight
- 464.9070
- Inchikey
- KSVHWXRUBDTFBX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H68/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-33(3)31-29-7-5-2/h33H,4-32H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
- Cas Id
- Ob Score
- Mol Logp
- 12.9752
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 29
- Drug Likeness
- 0.0960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-methyl-dotriacontane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-methyl-dotriacontane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methyl-dotriacontane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
KSVHWXRUBDTFBX-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
KSVHWXRUBDTFBX-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
KSVHWXRUBDTFBX-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012562
Tcmid
39231
Pub Chem
6431085
Tcmbank
TCMBANKIN034118
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H68/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-33(3)31-29-7-5-2/h33H,4-32H2,1-3H3
Mol Wt
464.9070000000004
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Mol Log P
12.97519999999998
In Ch Ikey
KSVHWXRUBDTFBX-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.096
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
Herb Alias Names
KSVHWXRUBDTFBX-UHFFFAOYSA-N
Molecular Weight
464.9 g/mol
Molecular Formula
C33H68
Molecular Formula
C33H68
Num Rotatable Bonds
29