Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11138
- Core Entity Id
- 15545
- Source Entity Count
- 1
- Preferred Name
- Apiose
- Name En
- Pubchem Id
- 12306753
- Smiles Canonical
- C1C(C(C(O1)O)O)(CO)O
- Molecular Formula
- C5H10O5
- Molecular Weight
- 150.1300
- Inchikey
- ASNHGEVAWNWCRQ-LJJLCWGRSA-N
- Inchi
- InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4?,5+/m0/s1
- Isomeric Smiles
- C1[C@@]([C@H](C(O1)O)O)(CO)O
- Cas Id
- Ob Score
- Mol Logp
- -2.5807
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Apiose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Apiose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Apiose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Apiose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
apiose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanal
Role
alias
Source
TCMBank
Preferred
No
Name
(3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-C-(Hydroxymethyl)-D-Erythofuranose
Role
alias
Source
HERB_v2
Preferred
No
Name
3-C-(Hydroxymethyl)-D-Erythofuranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-C-(hydroxymethyl)-D-glycero-tetrofuranose
Role
alias
Source
HERB_v2
Preferred
No
Name
3-C-(hydroxymethyl)-D-glycero-tetrofuranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-C-(hydroxymethyl)-D-glycero-tetrose
Role
alias
Source
TCMBank
Preferred
No
Name
3-C-Hydroxymethyl-D-Erythrofuranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-C-Hydroxymethyl-D-Erythrofuranose
Role
alias
Source
HERB_v2
Preferred
No
Name
3-C-Hydroxymethyltetrose
Role
alias
Source
TCMBank
Preferred
No
Name
639-97-4
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NUSVO
Role
alias
Source
TCMBank
Preferred
No
Name
Api
Role
alias
Source
itcmdb_public
Preferred
No
Name
Api
Role
alias
Source
HERB_v2
Preferred
No
Name
C01488
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16689
Role
alias
Source
TCMBank
Preferred
No
Name
D-Api
Role
alias
Source
TCMBank
Preferred
No
Name
D-Apiose (as Syrup)
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Apiose (as Syrup)
Role
alias
Source
HERB_v2
Preferred
No
Name
D-apiofuranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-apiofuranose
Role
alias
Source
HERB_v2
Preferred
No
Name
E59T26TCEC
Role
alias
Source
TCMBank
Preferred
No
Name
L-Api
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Api
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Apiose
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Apiose
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL313602
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-E59T26TCEC
Role
alias
Source
TCMBank
Preferred
No
Name
Beta-D-Apiose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Apiose,9ci,8ci; d-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Beta-d-apiose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
apiose,9ci,8ci; d-form
Role
preferred
Source
TCMBank
Preferred
Yes
Name
beta-D-Apiose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4R)-4-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4R)-4-methyloltetrahydrofuran-2,3,4-triol
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4-Furantriol, tetrahydro-4-(hydroxymethyl)-, (2R,3R,4R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2IVA2P4XYF
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranose
Role
alias
Source
HERB_v2
Preferred
No
Name
36465-64-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08346
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:27672
Role
alias
Source
TCMBank
Preferred
No
Name
D-Apio-beta-D-furanose
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2IVA2P4XYF
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanal(3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol3-C-(Hydroxymethyl)-D-Erythofuranose3-C-(hydroxymethyl)-D-glycero-tetrofuranose3-C-(hydroxymethyl)-D-glycero-tetrose3-C-Hydroxymethyl-D-Erythrofuranose3-C-Hydroxymethyltetrose639-97-4AC1NUSVOApiC01488CHEBI:16689D-ApiD-Apiose (as Syrup)D-apiofuranoseE59T26TCECL-ApiL-ApioseSCHEMBL313602UNII-E59T26TCECBeta-D-ApioseApiose,9ci,8ci; d-form(2R,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol(2R,3R,4R)-4-(hydroxymethyl)tetrahydrofuran-2,3,4-triol(2R,3R,4R)-4-methyloltetrahydrofuran-2,3,4-triol2,3,4-Furantriol, tetrahydro-4-(hydroxymethyl)-, (2R,3R,4R)-2IVA2P4XYF3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranose36465-64-2C08346CHEBI:27672D-Apio-beta-D-furanoseUNII-2IVA2P4XYF
Cross References
Trusted external identifiers retained for this final record.
Cas
639-97-4
Herb
HBIN016495HBIN016496HBIN018048
Npass
NPC328579
Tcmid
1521
Tcmsp
MOL001692
Sym Map
SMIT14342SMIT04065
Tcm Id
6725
Pub Chem
12306753441474
Tcmbank
TCMBANKIN012469TCMBANKIN006457TCMBANKIN030836
Etcm Ingredient
Apiosebeta-D-Apiose
Itcmdb Generated
ITX-INGREDIENT-FDF49BB027C1ITX-INGREDIENT-C02F41F93036
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4?,5+/m0/s1
Mol Wt
150.13
Smiles
C1C(C(C(O1)O)O)(CO)O
Mol Log P
-2.580699999999999
Version
v1,v2
In Ch Ikey
ASNHGEVAWNWCRQ-LJJLCWGRSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.329
Num Hacceptors
5
Isomeric Smiles
C1[C@@]([C@H](C(O1)O)O)(CO)O
Molecule Weight
150.15
Canonical Smiles
C1C(C(C(O1)O)O)(CO)O
Herb Alias Names
3-C-(Hydroxymethyl)-D-Erythofuranose3-C-Hydroxymethyl-D-ErythrofuranoseApiL-ApiL-ApioseD-apiofuranose(3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triolD-Apiose (as Syrup)3-C-(hydroxymethyl)-D-glycero-tetrofuranose
Molecular Weight
150.050
Molecular Weight
150.13 g/mol
Molecule Formula
C5H10O5
Molecular Formula
C5H10O5
Molecular Formula
C5H10O5
Molecular Formula
C5H10O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.329