Summary

IMPPAT Phytochemical identifier: IMPHY015495

Phytochemical name: Bakerol

Synonymous chemical names:
bakerol

External chemical identifiers:
CID:101670394

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@@]31CC[C@@H]([C@]3(O)OC2(C)C)C

InChI:
InChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3/t9-,10+,11+,13+,14+/m1/s1

InChIKey:
GRRIYLFQXHZWQR-BDWDCIJZSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@]5CC[C@@H][C@]5O)OC8C)C))))C

Functional groups:
CO[C@](C)(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2COC3CCCC23C1

Scaffold Graph/Node level:
C1CC2COC3CCCC23C1

Scaffold Graph level:
C1CC2CCC3CCCC23C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Acorane sesquiterpenoids

NP-Likeness score: 2.938

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Chemical structure download