Summary

IMPPAT Phytochemical identifier: IMPHY015038

Phytochemical name: (-)-Phyllocladene

Synonymous chemical names:
phyllocladene

External chemical identifiers:
CID:44559813, ChEMBL:CHEMBL454740, ZINC:ZINC000001530342

---

Chemical structure information

SMILES:
C=C1C[C@]23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20-/m0/s1

InChIKey:
ONVABDHFQKWOSV-NDLGOLERSA-N

DeepSMILES:
C=CC[C@@]C[C@@H]5CC[C@H]6[C@][C@H]CC%10))CC)C)CCC6)))))C

Functional groups:
C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph/Node level:
CC1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph level:
CC1CC23CCC4CCCCC4C2CCC1C3

---

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, Podocarpane diterpenoids

NP-Likeness score: 3.206

---

Chemical structure download