Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35594
- Core Entity Id
- 42752
- Source Entity Count
- 1
- Preferred Name
- Triacontane
- Name En
- Pubchem Id
- 12535
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C30H62
- Molecular Weight
- 422.8260
- Inchikey
- JXTPJDDICSTXJX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- 638-68-6
- Ob Score
- 8.0900
- Mol Logp
- 11.9490
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 27
- Drug Likeness
- 0.1150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
TRIACONTANE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Triacontane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Triacontane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Triacontane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
263842_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
442711_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
47A73V7096
Role
alias
Source
itcmdb_public
Preferred
No
Name
47A73V7096
Role
alias
Source
HERB_v2
Preferred
No
Name
638-68-6
Role
alias
Source
HERB_v2
Preferred
No
Name
638-68-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
638-68-6
Role
alias
Source
TCMBank
Preferred
No
Name
90270_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
90272_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
CH3-[CH2]28-CH3
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:31006
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:31006
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:31006
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-349-5
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-349-5
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 211-349-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00009410
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00009410
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00165977-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 158661
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 158661
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 158661
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5330664
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-47A73V7096
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-47A73V7096
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Triacontane
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Triacontane
Role
alias
Source
TCMBank
Preferred
No
Name
n-Triacontane
Role
alias
Source
itcmdb_public
Preferred
No
Name
triacontane
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
263842_ALDRICH442711_SUPELCO47A73V7096638-68-690270_FLUKA90272_FLUKACH3-[CH2]28-CH3CHEBI:31006EINECS 211-349-5MFCD00009410NCGC00165977-01NSC 158661ST5330664UNII-47A73V7096n-Triacontane
Cross References
Trusted external identifiers retained for this final record.
Cas
638-68-6
Herb
HBIN046893
Npass
NPC77249
Tcmid
21521
Tcmsp
MOL008159
Sym Map
SMIT09482
Tcm Id
405
Pub Chem
12535
Tcmbank
TCMBANKIN037972
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
Mol Wt
422.8260000000004
Cas Id
638-68-6
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
11.94899999999998
Version
v1,v2
In Ch Ikey
JXTPJDDICSTXJX-UHFFFAOYSA-N
Ob Score
8.098.0904938.090493252
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/21537.mol2
Reference
2
Num Hdonors
0
Drug Likeness
0.115
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Molecule Weight
422.92
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
n-Triacontane638-68-6CHEBI:31006UNII-47A73V7096EINECS 211-349-5MFCD00009410NSC 158661NSC-15866147A73V7096
Molecular Weight
422.81
Molecular Formula
C30H62
Molecular Formula
C30H62
Num Rotatable Bonds
27