Summary

IMPPAT Phytochemical identifier: IMPHY002472

Phytochemical name: Flindissone

Synonymous chemical names:
flindissone

External chemical identifiers:
CID:101606411

---

Chemical structure information

SMILES:
CC(C[C@H]1O[C@H]([C@@H](C1)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C

InChI:
InChI=1S/C30H48O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18-22,24,26,32H,9-17H2,1-7H3/t19-,20+,21+,22+,24+,26-,28-,29+,30-/m1/s1

InChIKey:
LPZXAKDSGFXDBG-SETACZCPSA-N

DeepSMILES:
CCC[C@H]O[C@H][C@@H]C5)[C@@H]CC[C@][C@@]5C)CC[C@H]C6=CC[C@@H][C@]6C)CCC=O)C6C)C))))))))))))))C))))))O)))))C

Functional groups:
CC(C)=O, CC=C(C)C, C[C@H](O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CC=C3C2CCC2C3CCC2C2CCOC2)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CCC2C(C4CCOC4)CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CCC2C(C4CCCC4)CCC23)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.226

---

Chemical structure download