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: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17865
- Core Entity Id
- 23030
- Source Entity Count
- 1
- Preferred Name
- Eckstolonol
- Name En
- Pubchem Id
- 10429214
- Smiles Canonical
- C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O
- Molecular Formula
- C18H10O9
- Molecular Weight
- 370.2690
- Inchikey
- LBHQACSAGWCMAB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H
- Isomeric Smiles
- C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.3238
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.1980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eckstolonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eckstolonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
eckstolonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,8,13,14-tetraoxa-pentaphene-1,3,6,9,11-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,8,13,14-tetraoxa-pentaphene-1,3,6,9,11-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
639514-05-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
639514-05-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo(1,2-b:3,4-b')bis(1,4)benzodioxin-1,3,6,9,11-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo(1,2-b:3,4-b')bis(1,4)benzodioxin-1,3,6,9,11-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65820
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65820
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL559870
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL559870
Role
alias
Source
HERB_v2
Preferred
No
Name
DIOXINODEHYDROECKOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIOXINODEHYDROECKOL
Role
alias
Source
HERB_v2
Preferred
No
Name
N5P71K0GE3
Role
alias
Source
itcmdb_public
Preferred
No
Name
N5P71K0GE3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-N5P71K0GE3
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-N5P71K0GE3
Role
alias
Source
HERB_v2
Preferred
No
Name
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,8,13,14-tetraoxa-pentaphene-1,3,6,9,11-pentol639514-05-9Benzo(1,2-b:3,4-b')bis(1,4)benzodioxin-1,3,6,9,11-pentolCHEBI:65820CHEMBL559870DIOXINODEHYDROECKOLN5P71K0GE3UNII-N5P71K0GE3[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024825
Npass
NPC205850
Tcmid
6700
Pub Chem
10429214
Tcmbank
TCMBANKIN044849
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H
Mol Wt
370.2690000000001
Smiles
C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O
Mol Log P
4.323800000000004
In Ch Ikey
LBHQACSAGWCMAB-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06701.mol2
Reference
4376
Num Hdonors
5
Drug Likeness
0.198
Num Hacceptors
9
Isomeric Smiles
C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O
Canonical Smiles
C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O
Herb Alias Names
DIOXINODEHYDROECKOLN5P71K0GE3639514-05-9UNII-N5P71K0GE3CHEBI:65820[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentolCHEMBL559870Benzo(1,2-b:3,4-b')bis(1,4)benzodioxin-1,3,6,9,11-pentol5,8,13,14-tetraoxa-pentaphene-1,3,6,9,11-pentol
Molecular Weight
370.3 g/mol
Molecular Formula
C18H10O9
Molecular Formula
C18H10O9
Num Rotatable Bonds
0