Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018173

Phytochemical name: (-)-4,10(20),14-Bifloratriene

Synonymous chemical names:
(-)-4,10(20),14-Bifloratriene

External chemical identifiers:
CID:CID_42608263

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Chemical structure information

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

InChI:
InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16,18-20H,5-6,8-12H2,1-4H3/t16-,18+,19+,20-/m0/s1

InChIKey:
JMUSJUUKPWCCDS-NBYUQASBSA-N

DeepSMILES:
CC=CCC[C@@H][C@H]CCC=C)[C@@H][C@@H]6C=CC)CC6))))))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Pachydictyane diterpenoids, Serrulatane and Biflorane diterpenoids

NP-Likeness score: 3.309

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Chemical structure download