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
- 18551
- Core Entity Id
- 23797
- Source Entity Count
- 1
- Preferred Name
- Erythro-2,3-octadecane-diol
- Name En
- Pubchem Id
- 5317210
- Smiles Canonical
- CCCCCCCCCCCCCCCC(C(C)O)O
- Molecular Formula
- C18H38O2
- Molecular Weight
- 286.5000
- Inchikey
- QUADQLCGKXETIS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-20H,3-16H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(C(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.2094
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.4060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erythro-2,3-octadecane-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erythro-2,3-octadecane-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erythro-2,3-octadecane-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL16074943
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16074943
Role
alias
Source
itcmdb_public
Preferred
No
Name
octade-cane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
octade-cane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL16074943octade-cane-2,3-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025705
Npass
NPC324003
Tcmid
15939
Pub Chem
5317210
Tcmbank
TCMBANKIN011410
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-20H,3-16H2,1-2H3
Mol Wt
286.4999999999999
Smiles
CCCCCCCCCCCCCCCC(C(C)O)O
Mol Log P
5.209400000000007
In Ch Ikey
QUADQLCGKXETIS-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.406
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC(C(C)O)O
Canonical Smiles
CCCCCCCCCCCCCCCC(C(C)O)O
Herb Alias Names
octade-cane-2,3-diolSCHEMBL16074943
Molecular Weight
286.5 g/mol
Molecular Formula
C18H38O2
Molecular Formula
C18H38O2
Num Rotatable Bonds
15