Summary

IMPPAT Phytochemical identifier: IMPHY003610

Phytochemical name: Splendidin

Synonymous chemical names:
splendidin

External chemical identifiers:
CID:433422

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Chemical structure information

SMILES:
CC(=O)OC1C(OC(=O)C2C1(C)C1C(C=CC3C1(CC2)COC3=O)OC(=O)C)c1cocc1

InChI:
InChI=1S/C24H26O9/c1-12(25)31-17-5-4-16-21(27)30-11-24(16)8-6-15-22(28)33-18(14-7-9-29-10-14)20(32-13(2)26)23(15,3)19(17)24/h4-5,7,9-10,15-20H,6,8,11H2,1-3H3

InChIKey:
ODSSLHDHIUPAGJ-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCOC=O)CC6C)CCC=CCC6CC%10))COC5=O))))))))OC=O)C)))))))))ccocc5

Functional groups:
CC=CC, COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(c2ccoc2)CC2C1CCC13COC(=O)C1C=CCC23

Scaffold Graph/Node level:
OC1OC(C2CCOC2)CC2C1CCC13COC(O)C1CCCC23

Scaffold Graph level:
CC1CC(C2CCCC2)CC2C1CCC13CCC(C)C1CCCC23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 2.82

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Chemical structure download