Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23449
- Core Entity Id
- 29247
- Source Entity Count
- 1
- Preferred Name
- Kaempferide-3-o-alpha-l-arabinofuranosidase
- Name En
- Pubchem Id
- 44259087
- Smiles Canonical
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(CO4)O)O)O
- Molecular Formula
- C21H20O10
- Molecular Weight
- 432.3810
- Inchikey
- CFLKADWQQCOPAV-DMRJKJLGSA-N
- Inchi
- InChI=1S/C21H20O10/c1-28-11-4-2-9(3-5-11)19-20(31-21-18(27)16(25)13(24)8-29-21)17(26)15-12(23)6-10(22)7-14(15)30-19/h2-7,13,16,18,21-25,27H,8H2,1H3/t13-,16?,18?,21-/m0/s1
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@H](CO4)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6976
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaempferide-3-o-alpha-l-arabinofuranosidase
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kaempferide-3-o-alpha-l-arabinofuranosidase
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Kaempferide 3-alpha-L-arabinopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaempferide 3-alpha-L-arabinopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112036
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112036
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Kaempferide 3-alpha-L-arabinopyranosideLMPK12112036
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031747
Npass
NPC107176
Tcmid
38479
Pub Chem
44259087
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O10/c1-28-11-4-2-9(3-5-11)19-20(31-21-18(27)16(25)13(24)8-29-21)17(26)15-12(23)6-10(22)7-14(15)30-19/h2-7,13,16,18,21-25,27H,8H2,1H3/t13-,16?,18?,21-/m0/s1
Mol Wt
432.3810000000001
Mol Log P
0.6975999999999996
In Ch Ikey
CFLKADWQQCOPAV-DMRJKJLGSA-N
Num Hdonors
5
Drug Likeness
0.397
Num Hacceptors
10
Isomeric Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@H](CO4)O)O)O
Canonical Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(CO4)O)O)O
Herb Alias Names
Kaempferide 3-alpha-L-arabinopyranosideLMPK12112036
Molecular Formula
C21H20O10
Num Rotatable Bonds
4