Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37113
- Core Entity Id
- 44456
- Source Entity Count
- 1
- Preferred Name
- (z)-5-tetracosene-1,2,3,4-tetraol
- Name En
- Pubchem Id
- 53427616
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCC=CC(C(C(CO)O)O)O
- Molecular Formula
- C24H48O4
- Molecular Weight
- 400.6440
- Inchikey
- XABWPSCDPCHHDR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24(28)23(27)21-25/h19-20,22-28H,2-18,21H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCC=CC(C(C(CO)O)O)O
- Cas Id
- Ob Score
- 24.3837
- Mol Logp
- 5.2692
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 21
- Drug Likeness
- 0.1560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-5-Tetracosene-1,2,3,4- Tetraol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(Z)-5-Tetracosene-1,2,3,4- Tetraol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(Z)-5-tetracosene-1,2,3,4- tetraol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(Z)-5-tetracosene-1,2,3,4- tetraol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(z)-5-tetracosene-1,2,3,4-tetraol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(z)-5-tetracosene-1,2,3,4-tetraol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
375798-04-2
Role
alias
Source
HERB_v2
Preferred
No
Name
375798-04-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10699585
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10699585
Role
alias
Source
itcmdb_public
Preferred
No
Name
tetracos-5-ene-1,2,3,4-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
tetracos-5-ene-1,2,3,4-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-5-Tetracosene-1,2,3,4- Tetraol375798-04-2DTXSID10699585tetracos-5-ene-1,2,3,4-tetrol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048794
Tcmsp
MOL001035
Sym Map
SMIT03514
Pub Chem
53427616
Tcmbank
TCMBANKIN034789
Etcm Ingredient
(Z)-5-tetracosene-1,2,3,4- tetraol
Itcmdb Generated
ITX-INGREDIENT-F5781CE18FDD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24(28)23(27)21-25/h19-20,22-28H,2-18,21H2,1H3
Mol Wt
400.6439999999999
Smiles
CCCCCCCCCCCCCCCCCCC=CC(C(C(CO)O)O)O
Mol Log P
5.269200000000009
Version
v1,v2
In Ch Ikey
XABWPSCDPCHHDR-UHFFFAOYSA-N
Ob Score
24.38372224.383722124.384
Suppress
0
Num Hdonors
4
Drug Likeness
0.156
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCCC=CC(C(C(CO)O)O)O
Molecule Weight
590.93
Canonical Smiles
CCCCCCCCCCCCCCCCCCC=CC(C(C(CO)O)O)O
Herb Alias Names
tetracos-5-ene-1,2,3,4-tetrol375798-04-2DTXSID10699585
Molecular Weight
590.420
Molecular Weight
400.6 g/mol
Molecular Formula
C35H58O7
Molecular Formula
C24H48O4
Molecular Formula
C24H48O4
Num Rotatable Bonds
21
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.044