Summary

IMPPAT Phytochemical identifier: IMPHY009715

Phytochemical name: Silphinene

Synonymous chemical names:
silphinene

External chemical identifiers:
CID:44567200, ChEMBL:CHEMBL458374, ZINC:ZINC000044360536

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Chemical structure information

SMILES:
C[C@@H]1CC[C@H]2[C@@]31C=CC[C@@]3(C)CC2(C)C

InChI:
InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12-,14+,15+/m1/s1

InChIKey:
VHIAMHVUKUKCHP-UXOAXIEHSA-N

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

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC2CCC3C1

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: Silphinane sesquiterpenoids

NP-Likeness score: 3.4

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Chemical structure download