Summary

IMPPAT Phytochemical identifier: IMPHY001549

Phytochemical name: Tigliane

Synonymous chemical names:
tigliane

External chemical identifiers:
CID:154992, ChEBI:37526, ZINC:ZINC000064624297

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Chemical structure information

SMILES:
C[C@H]1C[C@@H]2C[C@H](C[C@H]2[C@@H]2[C@@H](C1)[C@H]1[C@H](C1(C)C)C[C@H]2C)C

InChI:
InChI=1S/C20H34/c1-11-6-14-7-12(2)9-16-18(15(14)8-11)13(3)10-17-19(16)20(17,4)5/h11-19H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1

InChIKey:
CGVXVPQJMYMMIH-HKDZDBKOSA-N

DeepSMILES:
C[C@H]C[C@@H]C[C@H]C[C@H]5[C@@H][C@@H]C%10)[C@H][C@H]C3C)C))C[C@H]6C)))))))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCC3C4CC4CCC3C2C1

Scaffold Graph/Node level:
C1CC2CCCC3C4CC4CCC3C2C1

Scaffold Graph level:
C1CC2CCCC3C4CC4CCC3C2C1

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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: Tigliane diterpenoids

NP-Likeness score: 1.872

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Chemical structure download