Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003865

Phytochemical name: Silphiperfol-5-en-3-ol B

Synonymous chemical names:
silphiperfol-5-en-3-ol b

External chemical identifiers:
CID:CID_91747332

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Chemical structure information

SMILES:
C[C@H]1CC[C@]23[C@@H]1C[C@H]([C@]3(C)C=C(C2C)C)O

InChI:
InChI=1S/C15H24O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-13,16H,5-7H2,1-4H3/t9-,11?,12+,13+,14-,15+/m0/s1

InChIKey:
KACKPLUHPMMFBK-BZUNZJMGSA-N

DeepSMILES:
C[C@H]CC[C@@][C@@H]5C[C@H][C@]5C)C=CC8C))C))))O

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC3CCCC23C1

Scaffold Graph/Node level:
C1CC2CCC3CCCC23C1

Scaffold Graph level:
C1CC2CCC3CCCC23C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Silphiperfolane sesquiterpenoids

NP-Likeness score: 2.797

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Chemical structure download