(1R,13R)-7,7-Dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol (Q105370855)

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chemical compound

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Language	Label	Description	Also known as
English	(1R,13R)-7,7-Dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

tuberosin

1 reference

based on heuristic

inferred from SMILES

mass

338.115423676 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,13S)-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,13R)-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₈O₅

0 references

canonical SMILES

OC1=CC=C2C(OCC3(O)C4=CC=5C=CC(OC5C=C4OC23)(C)C)=C1

0 references

isomeric SMILES

CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O

0 references

found in taxon

Sophora chrysophylla

1 reference

stated in

Studies on the constituents of Sophora species. XXIII. Constituents of the root of Sophora chrysophylla SEEM. (1).

Calopogonium mucunoides

1 reference

stated in

Isoneorautenol and Other Pterocarpan Phytoalexins from Calopogonium mucunoides

Pueraria montana var. lobata

1 reference

stated in

Induced isoflavonoids from copper chloride-treated stems of Pueraria lobata

Identifiers

InChI

InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1

0 references

InChIKey

ZBTYHECJEINCMD-QUCCMNQESA-N

0 references

PubChem CID

5318770

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZBTYHECJEINCMD-QUCCMNQESA-N

SureChEMBL ID

SCHEMBL21065388

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZBTYHECJEINCMD-QUCCMNQESA-N

UniChem compound ID

32597018

1 reference

stated in

UniChem

Human Metabolome Database ID

HMDB0302987

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZBTYHECJEINCMD-QUCCMNQESA-N

 

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