Summary

IMPPAT Phytochemical identifier: IMPHY013378

Phytochemical name: Phyllocladan-16alpha-ol

Synonymous chemical names:
phyllocladanol

External chemical identifiers:
CID:44237348

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Chemical structure information

SMILES:
C[C@@]1(O)C[C@@]23C[C@H]1CCC3[C@@]1(C(CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15?,16?,18+,19-,20+/m1/s1

InChIKey:
FZSRMADKTOBCNT-WLAIHKBOSA-N

DeepSMILES:
C[C@@]O)C[C@]C[C@H]5CCC6[C@@]CCC%10))CC)C)CCC6)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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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: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 3.275

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Chemical structure download