Summary

IMPPAT Phytochemical identifier: IMPHY001199

Phytochemical name: Senecrassidiol

Synonymous chemical names:
senecrassidiol

External chemical identifiers:
CID:102059900, ZINC:ZINC000005741651

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Chemical structure information

SMILES:
O[C@@H]1CC[C@]2(C[C@]1(C)CC[C@@H]1[C@H]2CC1(C)C)O

InChI:
InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12-,14+,15-/m1/s1

InChIKey:
SFJOMLIUSIKKRA-MYYUVRNCSA-N

DeepSMILES:
O[C@@H]CC[C@]C[C@]6C)CC[C@@H][C@H]7CC4C)C)))))))))O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC3C(C1)C2

Scaffold Graph/Node level:
C1CC2CCC3CCC3C(C1)C2

Scaffold Graph level:
C1CC2CCC3CCC3C(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Caryolane sesquiterpenoids

NP-Likeness score: 3.137

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Chemical structure download