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
- 27827
- Core Entity Id
- 34113
- Source Entity Count
- 1
- Preferred Name
- Nonacosanol
- Name En
- Pubchem Id
- 243696
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C29H60O
- Molecular Weight
- 424.7980
- Inchikey
- PKBSGDQYUYBUDY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 6624-76-6
- Ob Score
- 10.5690
- Mol Logp
- 10.5313
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 27
- Drug Likeness
- 0.1300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nonacosanyl Alcohol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Nonacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nonacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nonacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nonacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nonacosanyl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonacosanyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nonacosanyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
nonacosanyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Nonacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Nonacosanol
Role
alias
Source
TCMBank
Preferred
No
Name
25154-56-7
Role
alias
Source
TCMBank
Preferred
No
Name
6624-76-6
Role
alias
Source
TCMBank
Preferred
No
Name
6624-76-6
Role
alias
Source
HERB_v2
Preferred
No
Name
6624-76-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L6C4S
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS024391052
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0J4328
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40216446
Role
alias
Source
TCMBank
Preferred
No
Name
KE2MXY103L
Role
alias
Source
TCMBank
Preferred
No
Name
KE2MXY103L
Role
alias
Source
itcmdb_public
Preferred
No
Name
KE2MXY103L
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA05000457
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-4704803998
Role
alias
Source
TCMBank
Preferred
No
Name
NONACOSANYL ALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
NONACOSANYL ALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 53831
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 53831
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC53831
Role
alias
Source
TCMBank
Preferred
No
Name
Nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonacosanol, nonacosan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
SBB061616
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL16265
Role
alias
Source
TCMBank
Preferred
No
Name
ST51047623
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-KE2MXY103L
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-KE2MXY103L
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-KE2MXY103L
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC62240772
Role
alias
Source
TCMBank
Preferred
No
Name
n-nonacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
nonacosan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
nonacosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
nonacosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
nonacosanol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Nonacosanyl Alcohol1-Nonacosanol25154-56-76624-76-6AC1L6C4SAKOS024391052CTK0J4328DTXSID40216446KE2MXY103LLMFA05000457MCULE-4704803998NSC 53831NSC53831Nonacosanol, nonacosan-1-olSBB061616SCHEMBL16265ST51047623UNII-KE2MXY103LZINC62240772n-nonacosanolnonacosan-1-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
6624-76-6
Herb
HBIN037227HBIN037228
Npass
NPC148086
Tcmid
1565638520
Tcmsp
MOL002702
Sym Map
SMIT04895SMIT16878SMIT25739
Pub Chem
243696
Tcmbank
TCMBANKIN008711TCMBANKIN029703
Etcm Ingredient
Nonacosanol
Itcmdb Generated
ITX-INGREDIENT-75DF44C4EA69ITX-INGREDIENT-7E5FE0CDAAD5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
Mol Wt
424.7980000000003
Cas Id
6624-76-6
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
10.53129999999999
Version
v1,v2v2
In Ch Ikey
PKBSGDQYUYBUDY-UHFFFAOYSA-N
Ob Score
10.56910.5693918710.569392
Suppress
01
Num Hdonors
1
Drug Likeness
0.13
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Molecule Weight
424.89
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-Nonacosanolnonacosan-1-ol6624-76-6UNII-KE2MXY103LKE2MXY103Ln-nonacosanolNONACOSANYL ALCOHOLNSC 53831NSC-53831
Molecular Weight
424.460
Molecular Weight
424.79
Molecular Formula
C29H60O
Molecular Formula
C29H60O
Molecular Formula
C29H60O
Num Rotatable Bonds
27
Link Ingredient Id
4895.0
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.130