Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29515
- Core Entity Id
- 35989
- Source Entity Count
- 1
- Preferred Name
- Persicoside
- Name En
- Pubchem Id
- 91884749
- Smiles Canonical
- COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O
- Molecular Formula
- C23H26O11
- Molecular Weight
- 478.4500
- Inchikey
- NKYUUWHIEOUGKB-MBTNQKKPSA-N
- Inchi
- InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15-,18+,20+,21-,22+,23+/m0/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
- Cas Id
- 28978-03-2
- Ob Score
- Mol Logp
- 0.2946
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Persicoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Persicoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Persicoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Persicoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
persicoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
28978-03-2
Role
alias
Source
HERB_v2
Preferred
No
Name
28978-03-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948912
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948912
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0023201
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0023201
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801111030
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801111030
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9439
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9439
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3091
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3091
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0000806
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000806
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one28978-03-2AKOS032948912CS-0023201DTXSID801111030FS-9439HY-N3091starbld0000806
Cross References
Trusted external identifiers retained for this final record.
Cas
28978-03-2
Herb
HBIN039327
Tcmid
16980
Sym Map
SMIT26070
Tcm Id
1936
Pub Chem
91884749
Tcmbank
TCMBANKIN006614
Etcm Ingredient
Persicoside
Itcmdb Generated
ITX-INGREDIENT-6BB542FD5424ITX-INGREDIENT-AFF48B72DC83
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15-,18+,20+,21-,22+,23+/m0/s1
Mol Wt
478.4500000000001
Cas Id
28978-03-2
Smiles
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O
Mol Log P
0.2945999999999999
Version
v2
In Ch Ikey
NKYUUWHIEOUGKB-MBTNQKKPSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.388
Num Hacceptors
11
Isomeric Smiles
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
Canonical Smiles
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O
Herb Alias Names
28978-03-2(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-onestarbld0000806DTXSID801111030HY-N3091AKOS032948912FS-9439CS-0023201(2S)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
Molecular Weight
478.150
Molecular Weight
478.45
Molecular Formula
C23H26O11
Molecular Formula
C23H26O11
Molecular Formula
C23H26O11
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.051
Quantitative Estimate Of Drug Likeness（Qed）
0.388