Summary

IMPPAT Phytochemical identifier: IMPHY000203

Phytochemical name: Leucophleoxol

Synonymous chemical names:
leucophleoxol

External chemical identifiers:
CID:102239745, ZINC:ZINC000238740147

---

Chemical structure information

SMILES:
O[C@@H]1C[C@](C)(C=C2[C@H]1[C@@]1(C)[C@H](O)CCC([C@@H]1CC2)(C)C)[C@@H]1CO1

InChI:
InChI=1S/C20H32O3/c1-18(2)8-7-15(22)20(4)14(18)6-5-12-9-19(3,16-11-23-16)10-13(21)17(12)20/h9,13-17,21-22H,5-8,10-11H2,1-4H3/t13-,14+,15-,16+,17-,19+,20-/m1/s1

InChIKey:
PIJPBDSFAHXVGP-NGMKBNETSA-N

DeepSMILES:
O[C@@H]C[C@]C)C=C[C@H]6[C@@]C)[C@H]O)CCC[C@@H]6CC%10)))C)C)))))))))[C@@H]CO3

Functional groups:
CC(C)=CC, CO, C[C@@H]1CO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCC3CCCCC3C2CCC1C1CO1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CC(C3CO3)CCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC(C3CC3)CCC12

---

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: Cleistanthane diterpenoids

NP-Likeness score: 3.332

---

Chemical structure download