Summary

IMPPAT Phytochemical identifier: IMPHY001437

Phytochemical name: Putrol

Synonymous chemical names:
patrol, putrol

External chemical identifiers:
CID:15344614

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Chemical structure information

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

InChI:
InChI=1S/C29H48O/c1-19-23(30)9-8-21-20-10-13-29(7)24-18-25(2,3)14-15-26(24,4)16-17-28(29,6)22(20)11-12-27(19,21)5/h10,19,21-24,30H,8-9,11-18H2,1-7H3/t19-,21-,22-,23-,24+,26+,27+,28+,29-/m0/s1

InChIKey:
WVXZUPLRNVNUEE-AMTAZJLGSA-N

DeepSMILES:
O[C@H]CC[C@@H][C@][C@H]6C))C)CC[C@H]C6=CC[C@@][C@]6C)CC[C@@][C@H]6CCC)C)CC6)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

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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: Friedelane triterpenoids, Multiflorane triterpenoids, Pachysanane triterpenoids

NP-Likeness score: 3.171

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Chemical structure download