Summary

IMPPAT Phytochemical identifier: IMPHY003612

Phytochemical name: Plaunol A

Synonymous chemical names:
plaunol a

External chemical identifiers:
CID:433179

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Chemical structure information

SMILES:
O=C1OC2C34C1=CCCC4C1(C(=C)C2)C(OC3O)OC(C1)c1cocc1

InChI:
InChI=1S/C20H20O6/c1-10-7-15-20-12(16(21)25-15)3-2-4-14(20)19(10)8-13(11-5-6-23-9-11)24-18(19)26-17(20)22/h3,5-6,9,13-15,17-18,22H,1-2,4,7-8H2

InChIKey:
UESBLSHYDVKRSY-UHFFFAOYSA-N

DeepSMILES:
O=COCCC5=CCCC6CC=C)C%10))COC%10O)))OCC5)ccocc5

Functional groups:
C=C(C)C, CC=C1CCOC1=O, COC(C)OC(C)O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2OC(=O)C3=CCCC4C32COC2OC(c3ccoc3)CC124

Scaffold Graph/Node level:
CC1CC2OC(O)C3CCCC4C15CC(C1CCOC1)OC5OCC234

Scaffold Graph level:
CC1CC2CC(C)C34CC(C5CCCC5)CC3CCC23C1CCCC43

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.486

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Chemical structure download