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
- 18785
- Core Entity Id
- 24059
- Source Entity Count
- 1
- Preferred Name
- Eucalyptus wax
- Name En
- Pubchem Id
- 154874
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
- Molecular Formula
- C33H64O2
- Molecular Weight
- 492.8730
- Inchikey
- BYKYTXUAKJDVPV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 11.4773
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 30
- Drug Likeness
- 0.0740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eucalyptus Wax
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eucalyptus wax
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eucalyptus wax
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eucalyptus wax
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eucalyptus wax
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Acacia sp
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
16,18-Tritriacontanedione
Role
alias
Source
HERB_v2
Preferred
No
Name
16,18-Tritriacontanedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
24514-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
24514-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4QUF6P7Y9C
Role
alias
Source
itcmdb_public
Preferred
No
Name
4QUF6P7Y9C
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 4507
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 4507
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9752
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9752
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Tritriacontane-16,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Tritriacontane-16,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tritriacontane-16,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tritriacontane-16,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-4QUF6P7Y9C
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-4QUF6P7Y9C
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Tritriacontan-16,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Tritriacontan-16,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
tritriacontan-16,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
tritriacontan-16,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Acacia sp16,18-Tritriacontanedione24514-86-14QUF6P7Y9CCCRIS 4507CHEBI:9752N-Tritriacontane-16,18-dioneTritriacontane-16,18-dioneUNII-4QUF6P7Y9Cn-Tritriacontan-16,18-dionetritriacontan-16,18-dione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026017
Npass
NPC96927
Tcmid
7481
Sym Map
SMIT23880
Pub Chem
154874
Tcmbank
TCMBANKIN039563
Etcm Ingredient
Eucalyptus wax
Itcmdb Generated
ITX-INGREDIENT-22AEC2D65724ITX-INGREDIENT-7060EB08E5B9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
Mol Wt
492.8730000000006
Mol Log P
11.47729999999999
Version
v2
In Ch Ikey
BYKYTXUAKJDVPV-UHFFFAOYSA-N
Suppress
0
Tcm Name2
Acacia sp
Mol2 Path
/TCM_database/2007_3d_all/07482.mol2
Reference
658
Num Hdonors
0
Drug Likeness
0.074
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
Herb Alias Names
24514-86-1Tritriacontane-16,18-dioneN-Tritriacontane-16,18-dionen-Tritriacontan-16,18-dione16,18-Tritriacontanedione4QUF6P7Y9CUNII-4QUF6P7Y9CCCRIS 4507tritriacontan-16,18-dioneCHEBI:9752
Molecular Weight
800.830
Molecular Formula
C55H108O2
Molecular Formula
C33H64O2
Num Rotatable Bonds
30
Fda Maximum Daily Dose (Fdamdd)
0.077
Quantitative Estimate Of Drug Likeness（Qed）
0.045