Summary

IMPPAT Phytochemical identifier: IMPHY008029

Phytochemical name: Hirsutene

Synonymous chemical names:
hirsutene

External chemical identifiers:
CID:10442928, ZINC:ZINC000059778886

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Chemical structure information

SMILES:
C=C1CC[C@H]2[C@]1(C)[C@@H]1CC(C[C@@H]1C2)(C)C

InChI:
InChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1

InChIKey:
XEORYLRYWDQOAT-KYEXWDHISA-N

DeepSMILES:
C=CCC[C@H][C@]5C)[C@@H]CCC[C@@H]5C8)))C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC3CCCC3C12

Scaffold Graph/Node level:
CC1CCC2CC3CCCC3C12

Scaffold Graph level:
CC1CCC2CC3CCCC3C12

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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: Africanane sesquiterpenoids

NP-Likeness score: 2.666

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Chemical structure download