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
- 32991
- Core Entity Id
- 39862
- Source Entity Count
- 1
- Preferred Name
- Securiterpenoside
- Name En
- Pubchem Id
- 5321222
- Smiles Canonical
- C=C(CCOC1C(C(C(C(O1)CO)O)O)O)C(=O)O
- Molecular Formula
- C11H18O8
- Molecular Weight
- 278.2570
- Inchikey
- QJALTHDWQWOLLT-ZBGLXGBJSA-N
- Inchi
- InChI=1S/C11H18O8/c1-5(10(16)17)2-3-18-11-9(15)8(14)7(13)6(4-12)19-11/h6-9,11-15H,1-4H2,(H,16,17)/t6-,7-,8+,9-,11-/m1/s1
- Isomeric Smiles
- C=C(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.1662
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Securiterpenoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Securiterpenoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Securiterpenoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
产伊藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAN YI TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cicadawingvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
479677-95-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
479677-95-7
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734872
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734872
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:189466
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:189466
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385455-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385455-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00097858
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00097858
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
产伊藤CHAN YI TENGCicadawingvine2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid479677-95-7AKOS040734872CHEBI:189466NCGC00385455-01NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acidNS00097858
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043599
Npass
NPC197981
Tcmid
19628
Pub Chem
5321222
Tcmbank
TCMBANKIN044368
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H18O8/c1-5(10(16)17)2-3-18-11-9(15)8(14)7(13)6(4-12)19-11/h6-9,11-15H,1-4H2,(H,16,17)/t6-,7-,8+,9-,11-/m1/s1
Mol Wt
278.257
Mol Log P
-2.166199999999998
In Ch Ikey
QJALTHDWQWOLLT-ZBGLXGBJSA-N
Tcm Name
产伊藤
Tcm Name2
CHAN YI TENG
Mol2 Path
/TCM_database/2007_3d_all/19643.mol2
Reference
2228
Num Hdonors
5
Tcm Name En
Cicadawingvine
Drug Likeness
0.346
Num Hacceptors
7
Isomeric Smiles
C=C(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O
Canonical Smiles
C=C(CCOC1C(C(C(C(O1)CO)O)O)O)C(=O)O
Herb Alias Names
479677-95-72-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acidCHEBI:189466AKOS040734872NCGC00385455-01NS00097858NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid
Molecular Weight
278.26 g/mol
Molecular Formula
C11H18O8
Num Rotatable Bonds
6