Summary

IMPPAT Phytochemical identifier: IMPHY000174

Phytochemical name: Cleoginol

Synonymous chemical names:
cleogynol

External chemical identifiers:
CID:10552492

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@@](O1)(C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@@]31CCC(OC3)(C2(C)C)O)C)(O)C

InChI:
InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27-,28+,29-,30?/m1/s1

InChIKey:
VQVGNVXQGAGQRV-BSEJDZQBSA-N

DeepSMILES:
CC[C@@H]CC[C@@]O5)C)[C@H]CC[C@@][C@@H]5CC[C@H][C@@]6C)CC[C@@H][C@]6CCCOC6))C6C)C))O)))))))))))))C)))))))))O)C

Functional groups:
CO, COC, COC(C)(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COC(C2CCC3C2CCC2C3CCC3CC4CCC32CO4)C1

Scaffold Graph/Node level:
C1COC(C2CCC3C2CCC2C3CCC3CC4CCC32CO4)C1

Scaffold Graph level:
C1CCC(C2CCC3C2CCC2C3CCC3CC4CCC32CC4)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Dammarane and Protostane triterpenoids

NP-Likeness score: 3.178

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Chemical structure download