LOTUS: Natural Products Online

Q7577713

Name	Spiraeoside
Wikidata	Q7577713
Mol. formula	C21H20O12
CAS registry number	-
Mol. weight	464.3771

Representations

Temporary LOTUS id	LTS0068360
Name	Spiraeoside
Canonical SMILES	O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
2D SMILES	O=c1c(O)c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(O)cc(O)c12
IUPAC name	3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
InChI	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey	OIUBYZLTFSLSBY-HMGRVEAOSA-N
Deep SMILES	could not be computed
Murcko Framework	O1c2ccccc2CC=C1c3ccccc3

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium	Allium cepa

Kingdom	Family	Genus	Species
Plantae	Amaryllidaceae	Allium	Allium cepa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium	Allium cepa

Kingdom	Family	Genus	Species
Plantae	Amaryllidaceae	Allium	Allium cepa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula ulmaria

Kingdom	Family	Genus	Species
Plantae	Rosaceae	Filipendula	Filipendula ulmaria

Family	Genus	Species
Rosaceae	Filipendula	Filipendula ulmaria

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Filipendula	Filipendula ulmaria

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Filipendula	Filipendula ulmaria

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula ulmaria

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula vulgaris

Kingdom	Family	Genus	Species
Plantae	Rosaceae	Filipendula	Filipendula vulgaris

Family	Genus	Species
Rosaceae	Filipendula	Filipendula vulgaris

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Filipendula	Filipendula vulgaris

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Filipendula	Filipendula vulgaris

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula vulgaris

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium	Allium cepa

Kingdom	Family	Genus	Species
Plantae	Amaryllidaceae	Allium	Allium cepa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium	Allium cepa

Kingdom	Family	Genus	Species
Plantae	Amaryllidaceae	Allium	Allium cepa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Ulex	Ulex europaeus

Kingdom	Family	Genus	Species
Plantae	Fabaceae	Ulex	Ulex europaeus

Family	Genus	Species
Fabaceae	Ulex	Ulex europaeus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Ulex	Ulex europaeus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Ulex	Ulex europaeus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Ulex	Ulex europaeus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula ulmaria

Kingdom	Family	Genus	Species
Plantae	Rosaceae	Filipendula	Filipendula ulmaria

Family	Genus	Species
Rosaceae	Filipendula	Filipendula ulmaria

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Filipendula	Filipendula ulmaria

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Filipendula	Filipendula ulmaria

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Filipendula	Filipendula ulmaria

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Cannabaceae	Humulus	Humulus lupulus

Kingdom	Family	Genus	Species
Plantae	Cannabaceae	Humulus	Humulus lupulus

Family	Genus	Species
Cannabaceae	Humulus	Humulus lupulus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cannabaceae	Humulus	Humulus lupulus

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Viridiplantae	Streptophyta	Malvaceae	Althaea	Althaea armeniaca
Eukaryota	Viridiplantae	Streptophyta	Malvaceae	Althaea	Althaea cannabina
Eukaryota	Viridiplantae	Streptophyta	Malvaceae	Althaea	Althaea officinalis

Domain	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Althaea	Althaea cannabina
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Althaea	Althaea broussonetiifolia
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Althaea	Althaea narbonensis
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Althaea	Althaea officinalis
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Althaea	Althaea armeniaca

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Malvaceae	Althaea	Althaea cannabina
Plantae	Tracheophyta	Malvaceae	Althaea	Althaea armeniaca
Plantae	Tracheophyta	Malvaceae	Althaea	Althaea broussonetiifolia
Plantae	Tracheophyta	Malvaceae	Althaea	Althaea narbonensis
Plantae	Tracheophyta	Malvaceae	Althaea	Althaea officinalis

Ref:

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium

Ref:

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Convolvulaceae	Ipomoea	Ipomoea nil

Ref:

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Eucalyptus	Eucalyptus camaldulensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Arthropoda	Bombycidae	Bombyx	Bombyx mori

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Amaryllidaceae	Allium	Allium cepa
Eukaryota	Viridiplantae	Streptophyta	Amaryllidaceae	Allium	Allium ascalonicum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium ascalonicum
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Geraniaceae	Geranium	Geranium robertianum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Amaryllidaceae	Allium	Allium cepa
Plantae	Tracheophyta	Amaryllidaceae	Allium	Allium cepa
Plantae	Tracheophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Eucalyptus	Eucalyptus camaldulensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Eucalyptus	Eucalyptus camaldulensis
Plantae	Tracheophyta	Myrtaceae	Eucalyptus	Eucalyptus camaldulensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Primulaceae	Lysimachia	Lysimachia thyrsiflora

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Primulaceae	Lysimachia	Lysimachia thyrsiflora
Plantae	Tracheophyta	Primulaceae	Lysimachia	Lysimachia thyrsiflora

Ref:

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Alliaceae	Allium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Crassulaceae	Sedum	Sedum album

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Gerbera	Gerbera jamesonii

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium ascalonicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Filipendula	Filipendula ulmaria

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Eucalyptus	Eucalyptus globulus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lythraceae	Lawsonia	Lawsonia inermis

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Geraniaceae	Erodium	Erodium crassifolium
Eukaryota	Viridiplantae	Streptophyta	Geraniaceae	Erodium	Erodium arborescens

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Geraniaceae	Erodium	Erodium arborescens
Eukaryota	Archaeplastida	Streptophyta	Geraniaceae	Erodium	Erodium crassifolium

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Geraniaceae	Erodium	Erodium oxyrrhynchum
Plantae	Tracheophyta	Geraniaceae	Erodium	Erodium oxyrrhynchum
Plantae	Tracheophyta	Geraniaceae	Erodium	Erodium oxyrrhynchum
Plantae	Tracheophyta	Geraniaceae	Erodium	Erodium arborescens
Plantae	Tracheophyta	Geraniaceae	Erodium	Erodium crassifolium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Eriobotrya	Eriobotrya japonica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Serratula	Serratula coronata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Spartium	Spartium junceum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Anaphalis	Anaphalis margaritacea

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium cepa

Ref:

Chemical ontology

Pathway	Superclass	Class
Shikimates and Phenylpropanoids	Flavonoids	Flavonols

Molecular Properties

Total atom number	53
Heavy atom number	33
Bond count	36
Number of carbons	21
Minimal number of rings	4
Maximal number of rings	5

Molecular Descriptors

NP-likeness score	1
Alogp	0.59
Alogp2	0.35
Apol	59.9199
Bpol	28.5701
EccentricConnectivityIndexDescriptor	844
FmfDescriptor	0.697
Fsp3	0.2857
FragmentComplexityDescriptor	2080.12
PetitjeanNumber	0.4667
LipinskiRuleOf5Failures	1
WienerPathNumber	3332
Xlogp	1.711
ZagrebIndex	180
TopoPSA	210.51