Summary

IMPPAT Phytochemical identifier: IMPHY009279

Phytochemical name: Papyriogenin G

Synonymous chemical names:
papyriogenin g

External chemical identifiers:
CID:101967008, ZINC:ZINC000169660712

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Chemical structure information

SMILES:
O[C@@H]1[C@H]2OC(=O)[C@@]32CC[C@@]2(C(=C3CC1(C)C)C=C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C

InChI:
InChI=1S/C30H44O4/c1-25(2)16-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,7)28(17,6)14-15-30(18)23(22(25)32)34-24(30)33/h8-9,19-23,31-32H,10-16H2,1-7H3/t19-,20+,21+,22+,23+,27-,28+,29+,30-/m0/s1

InChIKey:
GGPUTPVILFAMBK-WWDUYRIUSA-N

DeepSMILES:
O[C@@H][C@H]OC=O)[C@]4CC[C@@]C=C6CC%12C)C))))C=C[C@H][C@@]6C)CC[C@@H][C@]6C)CC[C@H]C6C)C))O)))))))))))))C

Functional groups:
CC(C)=C(C)C=CC, CO, O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CCCC3=C4C=CC5C6CCCCC6CCC5C4CCC132

Scaffold Graph/Node level:
OC1OC2CCCC3C4CCC5C6CCCCC6CCC5C4CCC123

Scaffold Graph level:
CC1CC2CCCC3C4CCC5C6CCCCC6CCC5C4CCC123

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Beta propiolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 3.434

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Chemical structure download