Summary

IMPPAT Phytochemical identifier: IMPHY011103

Phytochemical name: Solidagolactone

Synonymous chemical names:
solidagolactone

External chemical identifiers:
CID:101020761

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Chemical structure information

SMILES:
O=C1CC[C@@]2(O1)C(=CC(=O)[C@@H]1[C@]2(C)CCCC1(C)C)C

InChI:
InChI=1S/C17H24O3/c1-11-10-12(18)14-15(2,3)7-5-8-16(14,4)17(11)9-6-13(19)20-17/h10,14H,5-9H2,1-4H3/t14-,16-,17+/m0/s1

InChIKey:
WNABRZDCNOLZTC-BHYGNILZSA-N

DeepSMILES:
O=CCC[C@@]O5)C=CC=O)[C@@H][C@]6C)CCCC6C)C)))))))))C

Functional groups:
CC(=O)OC, CC(C)=CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(C=CC(=O)C3CCCCC32)O1

Scaffold Graph/Node level:
OC1CCC2(CCC(O)C3CCCCC32)O1

Scaffold Graph level:
CC1CCC2(CCC(C)C3CCCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 2.551

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Chemical structure download