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
- 30363
- Core Entity Id
- 36935
- Source Entity Count
- 1
- Preferred Name
- Polygoacetophenoside
- Name En
- Pubchem Id
- 5320664
- Smiles Canonical
- CC(=O)C1=C(C(=C(C=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C14H18O10
- Molecular Weight
- 346.2880
- Inchikey
- ZUWXQUMKYTWEHJ-UURCPNQXSA-N
- Inchi
- InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)13(10(8)20)24-14-12(22)11(21)9(19)7(3-15)23-14/h2,7,9,11-12,14-15,17-22H,3H2,1H3/t7-,9-,11+,12-,14+/m1/s1
- Isomeric Smiles
- CC(=O)C1=C(C(=C(C=C1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- 110906-84-8
- Ob Score
- Mol Logp
- -1.8153
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Polygoacetophenoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Polygoacetophenoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Polygoacetophenoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Polygoacetophenoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
polygoacetophenoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
110906-84-8
Herb
HBIN040425
Npass
NPC250793
Tcmid
17625
Sym Map
SMIT26199
Tcm Id
1697
Pub Chem
5320664
Tcmbank
TCMBANKIN027562
Etcm Ingredient
Polygoacetophenoside
Itcmdb Generated
ITX-INGREDIENT-BDD7EEFEA999ITX-INGREDIENT-E8E5BE3FDD02
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)13(10(8)20)24-14-12(22)11(21)9(19)7(3-15)23-14/h2,7,9,11-12,14-15,17-22H,3H2,1H3/t7-,9-,11+,12-,14+/m1/s1
Mol Wt
346.2880000000001
Cas Id
110906-84-8
Smiles
CC(=O)C1=C(C(=C(C=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O
Mol Log P
-1.8153
Version
v2
In Ch Ikey
ZUWXQUMKYTWEHJ-UURCPNQXSA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.307
Num Hacceptors
10
Isomeric Smiles
CC(=O)C1=C(C(=C(C=C1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical Smiles
CC(=O)C1=C(C(=C(C=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
346.090
Molecular Weight
346.29
Molecular Formula
C14H18O10
Molecular Formula
C14H18O10
Molecular Formula
C14H18O10
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.307