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
- 3574
- Core Entity Id
- 7159
- Source Entity Count
- 1
- Preferred Name
- 3,5-dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
- Name En
- Pubchem Id
- 10894025
- Smiles Canonical
- COC1=CC(=C(C=C1)CCC(=O)OC)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C17H24O9
- Molecular Weight
- 372.3700
- Inchikey
- MTRNLFDSILFHHT-USACIQFYSA-N
- Inchi
- InChI=1S/C17H24O9/c1-23-10-5-3-9(4-6-13(19)24-2)11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3/t12-,14-,15+,16-,17-/m1/s1
- Isomeric Smiles
- COC1=CC(=C(C=C1)CCC(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0205
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-Dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,5-dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5-dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5-dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
AKOS040737819
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040737819
Role
alias
Source
itcmdb_public
Preferred
No
Name
C17H24O9
Role
alias
Source
HERB_v2
Preferred
No
Name
C17H24O9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-021577
Role
alias
Source
HERB_v2
Preferred
No
Name
Compound NP-021577
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS040737819C17H24O9Compound NP-021577
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007640
Npass
NPC148061
Tcmid
25854
Pub Chem
10894025
Tcmbank
TCMBANKIN015705
Etcm Ingredient
3,5-Dimethoxy-4-glucosyloxy-phenyl-propenyl alcohol
Itcmdb Generated
ITX-INGREDIENT-764F7783A284
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H24O9/c1-23-10-5-3-9(4-6-13(19)24-2)11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3/t12-,14-,15+,16-,17-/m1/s1
Mol Wt
372.3700000000001
Smiles
COC1=CC(=C(C=C1)CCC(=O)OC)OC2C(C(C(C(O2)CO)O)O)O
Mol Log P
-1.020499999999999
In Ch Ikey
MTRNLFDSILFHHT-USACIQFYSA-N
Num Hdonors
4
Drug Likeness
0.444
Num Hacceptors
9
Isomeric Smiles
COC1=CC(=C(C=C1)CCC(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
COC1=CC(=C(C=C1)CCC(=O)OC)OC2C(C(C(C(O2)CO)O)O)O
Herb Alias Names
Compound NP-021577C17H24O9AKOS040737819
Molecular Weight
372.140
Molecular Formula
C17H24O9
Molecular Formula
C17H24O9
Molecular Formula
C17H24O9
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.403