Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018094

Phytochemical name: (1E,5e,8s,10r)-1,5-Dimethyl-8,10-di(prop-1-en-2-yl)cyclododeca-1,5-diene

Synonymous chemical names:
(1e,5e,8s,10r)-1,5-Dimethyl-8,10-di(prop-1-en-2-yl)cyclododeca-1,5-diene

External chemical identifiers:
CID:CID_101316901

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Chemical structure information

SMILES:
C/C/1=C/C[C@@H](C[C@@H](CC/C(=C\CC1)/C)C(=C)C)C(=C)C

InChI:
InChI=1S/C20H32/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(14-19)16(3)4/h8,11,19-20H,1,3,7,9-10,12-14H2,2,4-6H3/b17-8-,18-11-/t19-,20+/m1/s1

InChIKey:
CIJBIDDWTJGAAD-SPRGCWLUSA-N

DeepSMILES:
C/C=C/C[C@@H]C[C@@H]CC/C=C\CC\%12)))/C))))C=C)C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCC1

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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: Diterpenoids

NP Classifier Class: Cembrane diterpenoids

NP-Likeness score: 1.9

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Chemical structure download