Summary

IMPPAT Phytochemical identifier: IMPHY008765

Phytochemical name: Premnolal

Synonymous chemical names:
premnolal

External chemical identifiers:
CID:101324850, ZINC:ZINC000205057672

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Chemical structure information

SMILES:
O=Cc1cc(O)c2c(c1O)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C18H24O3/c1-17(2)7-4-8-18(3)14(17)6-5-12-15(18)13(20)9-11(10-19)16(12)21/h9-10,14,20-21H,4-8H2,1-3H3/t14-,18-/m0/s1

InChIKey:
BXGSRCLOKZPPMU-KSSFIOAISA-N

DeepSMILES:
O=CcccO)ccc6O))CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
cC=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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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: Diterpenoids

NP Classifier Class: Podocarpane diterpenoids

NP-Likeness score: 2.459

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Chemical structure download