Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11210
- Core Entity Id
- 15625
- Source Entity Count
- 1
- Preferred Name
- Aralia cerebroside
- Name En
- Pubchem Id
- 131751463
- Smiles Canonical
- CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O
- Molecular Formula
- C40H77NO10
- Molecular Weight
- 732.0530
- Inchikey
- AYBHLNMQTQBJBX-XUTLUUPISA-N
- Inchi
- InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+
- Isomeric Smiles
- CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCC/C=C/CCCCCCCCC)O)O)O
- Cas Id
- Ob Score
- 2.5210
- Mol Logp
- 5.3288
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 33
- Drug Likeness
- 0.0320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aralia Cerebroside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Aralia Cerebroside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aralia cerebroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aralia cerebroside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aralia cerebroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aralia cerebroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2OH)
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2OH)
Role
alias
Source
HERB_v2
Preferred
No
Name
3O/16:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
3O/16:0
Role
alias
Source
HERB_v2
Preferred
No
Name
Araliacerebroside
Role
alias
Source
HERB_v2
Preferred
No
Name
Araliacerebroside
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:183035
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:183035
Role
alias
Source
HERB_v2
Preferred
No
Name
HexCer 18:1
Role
alias
Source
itcmdb_public
Preferred
No
Name
HexCer 18:1
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
aralia cerebroside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2OH)3O/16:0AraliacerebrosideCHEBI:183035HexCer 18:1N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016578
Tcmid
36422
Tcmsp
MOL008027
Sym Map
SMIT09365
Pub Chem
131751463
Tcmbank
TCMBANKIN030600
Etcm Ingredient
Aralia cerebroside
Itcmdb Generated
ITX-INGREDIENT-DE3C26AFA08C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+
Mol Wt
732.0529999999998
Smiles
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O
Mol Log P
5.328800000000009
Version
v1,v2
In Ch Ikey
AYBHLNMQTQBJBX-XUTLUUPISA-N
Ob Score
2.5212.5214479072.521448
Suppress
0
Num Hdonors
8
Drug Likeness
0.032
Num Hacceptors
10
Isomeric Smiles
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCC/C=C/CCCCCCCCC)O)O)O
Molecule Weight
732.18
Canonical Smiles
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O
Herb Alias Names
AraliacerebrosideCHEBI:183035HexCer 18:13O/16:0(2OH)N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
Molecular Weight
731.550
Molecular Weight
732 g/mol
Molecular Formula
C40H77NO10
Molecular Formula
C40H77NO10
Molecular Formula
C40H77NO10
Num Rotatable Bonds
33
Fda Maximum Daily Dose (Fdamdd)
0.176
Quantitative Estimate Of Drug Likeness（Qed）
0.032