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Herb: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37512
- Core Entity Id
- 56384
- Source Entity Count
- 1
- Preferred Name
- 10-nonadecanol
- Name En
- Pubchem Id
- 85611
- Smiles Canonical
- CCCCCCCCCC(CCCCCCCCC)O
- Molecular Formula
- C19H40O
- Molecular Weight
- 284.5280
- Inchikey
- ACMBVSPXQQUNOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCC(CCCCCCCCC)O
- Cas Id
- 16840-84-9
- Ob Score
- 13.5030
- Mol Logp
- 6.6287
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.3150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-Nonadecanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10-Nonadecanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-Nonadecanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-nonadecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10-nonadecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-hydroxynonadecane
Role
alias
Source
HERB_v2
Preferred
No
Name
10-hydroxynonadecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
16840-84-9
Role
alias
Source
HERB_v2
Preferred
No
Name
16840-84-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-36473
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-36473
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90168562
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90168562
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 240-864-8
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 240-864-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 158534
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC158534
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonadecan-10-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonadecan-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
dinonyl carbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
dinonyl carbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonacasyl Alcohol-10
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonacasyl alcohol-10
Role
preferred
Source
TCMBank
Preferred
Yes
Name
菊花黄连
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JU HUA HUANG LIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yellowflower Corydalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-hydroxynonadecane16840-84-9AI3-36473DTXSID90168562EINECS 240-864-8NSC 158534NSC158534Nonadecan-10-oldinonyl carbinolNonacasyl Alcohol-10菊花黄连JU HUA HUANG LIANYellowflower Corydalis
Cross References
Trusted external identifiers retained for this final record.
Cas
16840-84-9
Herb
HBIN000174
Npass
NPC204820
Tcmid
1565035454
Tcmsp
MOL003451
Sym Map
SMIT05515SMIT16874
Pub Chem
85611
Tcmbank
TCMBANKIN060989TCMBANKIN056776
Etcm Ingredient
10-Nonadecanol
Itcmdb Generated
ITX-INGREDIENT-13F41E1B5CC0ITX-INGREDIENT-C6F7E46119B4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
Mol Wt
284.5279999999999
Cas Id
16840-84-9
Smiles
CCCCCCCCCC(CCCCCCCCC)O
Mol Log P
6.628700000000008
Version
v1,v2
In Ch Ikey
ACMBVSPXQQUNOF-UHFFFAOYSA-N
Ob Score
13.5029916813.50299213.503
Suppress
0
Tcm Name
菊花黄连
Tcm Name2
JU HUA HUANG LIAN
Mol2 Path
/TCM_database/2003_3d_all/6323.mol2
Reference
2,6
Num Hdonors
1
Tcm Name En
Yellowflower Corydalis
Drug Likeness
0.315
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCC(CCCCCCCCC)O
Molecule Weight
284.59
Canonical Smiles
CCCCCCCCCC(CCCCCCCCC)O
Herb Alias Names
Nonadecan-10-ol16840-84-9EINECS 240-864-8AI3-36473DTXSID90168562NSC 158534dinonyl carbinol10-hydroxynonadecaneNSC158534
Molecular Weight
284.310
Molecular Weight
284.5 g/mol
Molecular Formula
C19H40O
Molecular Formula
C19H40O
Molecular Formula
C19H40O
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.315