Summary

IMPPAT Phytochemical identifier: IMPHY007375

Phytochemical name: Sugiol

Synonymous chemical names:
sugiol

External chemical identifiers:
CID:94162, ChEMBL:CHEMBL195296, ChEBI:138961, ZINC:ZINC000001711825, SureChEMBL:SCHEMBL1086916, MolPort-019-936-838

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Chemical structure information

SMILES:
O=C1C[C@H]2C(C)(C)CCC[C@@]2(c2c1cc(C(C)C)c(c2)O)C

InChI:
InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1

InChIKey:
IPEHJNRNYPOFII-AZUAARDMSA-N

DeepSMILES:
O=CC[C@H]CC)C)CCC[C@@]6cc%10ccCC)C))cc6)O))))))C

Functional groups:
cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2c2ccccc21

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCCCC12

Scaffold Graph level:
CC1CC2CCCCC2C2CCCCC12

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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: Abietane diterpenoids, Podocarpane diterpenoids

NP-Likeness score: 2.445

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Chemical structure download