Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 5Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34257
- Core Entity Id
- 41273
- Source Entity Count
- 1
- Preferred Name
- Swertianolin
- Name En
- Pubchem Id
- 44144324
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)O
- Molecular Formula
- C20H20O11
- Molecular Weight
- 436.3690
- Inchikey
- XMVBNLMKPMPWAX-DIKOWXHZSA-N
- Inchi
- InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4553
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Swertianolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Swertianolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Swertianolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
swertianolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,5-Dihydroxy-3-methoxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
23445-00-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
23445-00-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
5,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
8-(?-D-Glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-(?-D-Glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bellidifolin 8-O-?-D-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Bellidifolin 8-O-?-D-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bellidifolin-8-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Bellidifolin-8-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65478
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65478
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL468396
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL468396
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,5-Dihydroxy-3-methoxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-one1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one23445-00-34,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside5,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside8-(?-D-Glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-9H-xanthen-9-oneBellidifolin 8-O-?-D-GlucopyranosideBellidifolin-8-O-glucosideCHEBI:65478CHEMBL468396
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045189
Npass
NPC22195
Tcmid
20495
Pub Chem
441443245281662
Tcmbank
TCMBANKIN020277
Etcm Ingredient
Swertianolin
Itcmdb Generated
ITX-INGREDIENT-059EAF8AEB87
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
Mol Wt
436.3690000000001
Smiles
COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Mol Log P
-0.4553000000000005
In Ch Ikey
XMVBNLMKPMPWAX-DIKOWXHZSA-N
Num Hdonors
6
Drug Likeness
0.292
Num Hacceptors
11
Isomeric Smiles
COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Canonical Smiles
COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Herb Alias Names
23445-00-3Bellidifolin-8-O-glucosideCHEBI:654785,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one4,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside1,5-Dihydroxy-3-methoxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-one8-(?-D-Glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-9H-xanthen-9-oneBellidifolin 8-O-?-D-GlucopyranosideBellidifolin-8-O-glucosideCHEMBL468396
Molecular Weight
436.100
Molecular Weight
436.4 g/mol
Molecular Formula
C20H20O11
Molecular Formula
C20H20O11
Molecular Formula
C20H20O11
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.292