Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31555
- Core Entity Id
- 38261
- Source Entity Count
- 1
- Preferred Name
- Rengyoside a
- Name En
- Pubchem Id
- 10958239
- Smiles Canonical
- C1CC(CCC1O)(CCOC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C14H26O8
- Molecular Weight
- 322.3540
- Inchikey
- ZVHXRQYGDOHSKK-SHSRKONYSA-N
- Inchi
- InChI=1S/C14H26O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h8-13,15-20H,1-7H2/t8?,9-,10-,11+,12-,13-,14?/m1/s1
- Isomeric Smiles
- C1CC(CCC1O)(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- 2.9220
- Mol Logp
- -2.1410
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rengyoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rengyoside A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rengyoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rengyoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rengyoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
连翘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIAN QIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Weeping Forsythia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
rengyoside a
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
连翘LIAN QIAOWeeping Forsythia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042074
Tcmid
18601
Tcmsp
MOL003324
Sym Map
SMIT05414SMIT17431
Pub Chem
10958239
Tcmbank
TCMBANKIN037478
Etcm Ingredient
rengyoside A
Itcmdb Generated
ITX-INGREDIENT-130D2138E53D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H26O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h8-13,15-20H,1-7H2/t8?,9-,10-,11+,12-,13-,14?/m1/s1
Mol Wt
322.354
Mol Log P
-2.140999999999998
Version
v1,v2
In Ch Ikey
ZVHXRQYGDOHSKK-SHSRKONYSA-N
Ob Score
2.9222.9220252.922025489
Suppress
1
Tcm Name
连翘
Tcm Name2
LIAN QIAO
Mol2 Path
/TCM_database/2007_3d_all/18616.mol2
Reference
660
Num Hdonors
6
Tcm Name En
Weeping Forsythia
Drug Likeness
0.337
Num Hacceptors
8
Isomeric Smiles
C1CC(CCC1O)(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Molecule Weight
322.4
Canonical Smiles
C1CC(CCC1O)(CCOC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
322.160
Molecular Weight
322.35 g/mol
Molecular Formula
C14H26O8
Molecular Formula
C14H26O8
Num Rotatable Bonds
5
Link Ingredient Id
5414.0
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.337