Summary

IMPPAT Phytochemical identifier: IMPHY002288

Phytochemical name: Cheilarinosin

Synonymous chemical names:
cheilarinosin

External chemical identifiers:
CID:101306941

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Chemical structure information

SMILES:
CC(CC(CC(=C)[C@H]1CC[C@]2([C@H]1CCC(C)(O)[C@@H]1[C@H](C2)C(=CC1)C)C)O)C

InChI:
InChI=1S/C25H42O2/c1-16(2)13-19(26)14-18(4)20-9-11-24(5)15-21-17(3)7-8-23(21)25(6,27)12-10-22(20)24/h7,16,19-23,26-27H,4,8-15H2,1-3,5-6H3/t19?,20-,21-,22+,23+,24-,25?/m1/s1

InChIKey:
ZTTPPDZFKVLMFX-PJLRFPPCSA-N

DeepSMILES:
CCCCCC=C)[C@H]CC[C@][C@H]5CCCC)O)[C@@H][C@H]C8)C=CC5))C))))))))C)))))))O)))C

Functional groups:
C=C(C)C, CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3CCCC3CCCC2C1

Scaffold Graph/Node level:
C1CC2CCCC2CC2CCCC2C1

Scaffold Graph level:
C1CC2CCCC2CC2CCCC2C1

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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: Steroids

NP Classifier Class: Cholestane steroids

NP-Likeness score: 2.528

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Chemical structure download