Summary

IMPPAT Phytochemical identifier: IMPHY008546

Phytochemical name: Gelomulide D

Synonymous chemical names:
gelomulide d

External chemical identifiers:
CID:14286072, ZINC:ZINC000238760327

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Chemical structure information

SMILES:
CC1=C2[C@H](OC1=O)C[C@@H]1[C@]3([C@@H]2O3)CC[C@H]2[C@@]1(C)C=CC(=O)C2(C)C

InChI:
InChI=1S/C20H24O4/c1-10-15-11(23-17(10)22)9-13-19(4)7-6-14(21)18(2,3)12(19)5-8-20(13)16(15)24-20/h6-7,11-13,16H,5,8-9H2,1-4H3/t11-,12-,13+,16-,19-,20+/m1/s1

InChIKey:
FEPYBCIIYOUFFF-CDDCSLGMSA-N

DeepSMILES:
CC=C[C@H]OC5=O)))C[C@@H][C@][C@@H]6O3))CC[C@H][C@@]6C)C=CC=O)C6C)C

Functional groups:
CC(=O)C=CC, CC1=C([C@H]2O[C@@]2(C)C)COC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2C(CCC34OC3C3=CC(=O)OC3CC24)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC34OC3C3CC(O)OC3CC24)C1

Scaffold Graph level:
CC1CCC2C(CCC34CC3C3CC(C)CC3CC24)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 3.268

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Chemical structure download