Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 8Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15079
- Core Entity Id
- 19925
- Source Entity Count
- 1
- Preferred Name
- Conduritol
- Name En
- Pubchem Id
- 136345
- Smiles Canonical
- C1=CC(C(C(C1O)O)O)O
- Molecular Formula
- C6H10O4
- Molecular Weight
- 146.1420
- Inchikey
- LRUBQXAKGXQBHA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H
- Isomeric Smiles
- C1=CC(C(C(C1O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.0002
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conduritol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conduritol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Conduritol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
conduritol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,2R,3S,4S)-rel-5-Cyclohexene-1,2,3,4-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2R,3S,4S)-rel-5-Cyclohexene-1,2,3,4-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S,3S,4R)-Cyclohex-5-ene-1,2,3,4-tetraol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2S,3S,4R)-Cyclohex-5-ene-1,2,3,4-tetraol
Role
alias
Source
HERB_v2
Preferred
No
Name
25348-64-5
Role
alias
Source
HERB_v2
Preferred
No
Name
25348-64-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Cyclohexene-1,2,3,4-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Cyclohexene-1,2,3,4-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67218
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67218
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conduritol A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conduritol A
Role
alias
Source
HERB_v2
Preferred
No
Name
Conduritol B
Role
alias
Source
HERB_v2
Preferred
No
Name
Conduritol B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conduritol-e
Role
alias
Source
HERB_v2
Preferred
No
Name
Conduritol-e
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kondurite
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kondurite
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclohex-5-ene-1,2,3,4-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclohex-5-ene-1,2,3,4-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leucanthemitol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conduritol;leucanthemitol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白首乌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI SHOU WU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bunge Swallowwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6090-98-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL19682
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,2R,3S,4S)-rel-5-Cyclohexene-1,2,3,4-tetrol(1R,2S,3S,4R)-Cyclohex-5-ene-1,2,3,4-tetraol25348-64-55-Cyclohexene-1,2,3,4-tetrolCHEBI:67218Conduritol AConduritol BConduritol-eKonduritecyclohex-5-ene-1,2,3,4-tetrolLeucanthemitolconduritol;leucanthemitol白首乌BAI SHOU WUBunge Swallowwort(1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol6090-98-8CHEMBL19682
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021338HBIN032988
Npass
NPC214814
Tcmid
3255312707
Sym Map
SMIT23072
Pub Chem
13634510057625
Tcmbank
TCMBANKIN007318TCMBANKIN036787TCMBANKIN058274
Etcm Ingredient
Leucanthemitol
Itcmdb Generated
ITX-INGREDIENT-036BA2CB89ACITX-INGREDIENT-1051613B6FE4ITX-INGREDIENT-131BDA1A2D91
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H
Mol Wt
146.142
Smiles
C1=CC(C(C(C1O)O)O)O
Mol Log P
-2.0002
Version
v2
In Ch Ikey
LRUBQXAKGXQBHA-UHFFFAOYSA-N
Suppress
0
Tcm Name
白首乌
Tcm Name2
BAI SHOU WU
Mol2 Path
/TCM_database/2007_3d_all/12713.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Bunge Swallowwort
Drug Likeness
0.298
Num Hacceptors
4
Isomeric Smiles
C1=CC(C(C(C1O)O)O)O
Canonical Smiles
C1=CC(C(C(C1O)O)O)O
Herb Alias Names
Conduritol Bcyclohex-5-ene-1,2,3,4-tetrol25348-64-55-Cyclohexene-1,2,3,4-tetrolConduritol AKondurite(1R,2S,3S,4R)-Cyclohex-5-ene-1,2,3,4-tetraolCHEBI:67218Conduritol-e(1R,2R,3S,4S)-rel-5-Cyclohexene-1,2,3,4-tetrol
Molecular Weight
146.060
Molecular Weight
146.14 g/mol
Molecular Formula
C6H10O4
Molecular Formula
C6H10O4
Molecular Formula
C6H10O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.298