Summary

IMPPAT Phytochemical identifier: IMPHY016059

Phytochemical name: (+)-Pacifigorgia-1(6),10-diene

Synonymous chemical names:
(-)-pacifigorgia-1(6),10-diene

External chemical identifiers:
CID:101131094, ZINC:ZINC000238731685

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Chemical structure information

SMILES:
CC(=C[C@@H]1[C@H](C)CCC2=C1CC[C@H]2C)C

InChI:
InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11-12,15H,5-8H2,1-4H3/t11-,12-,15-/m1/s1

InChIKey:
VGMZAEHYZOQRSK-LALPHHSUSA-N

DeepSMILES:
CC=C[C@@H][C@H]C)CCC=C6CC[C@H]5C)))))))))))C

Functional groups:
CC(C)=C(C)C, CC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2=C(C1)CCC2

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Pacifigorgiane sesquiterpenoids

NP-Likeness score: 1.986

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Chemical structure download