Summary

IMPPAT Phytochemical identifier: IMPHY013685

Phytochemical name: Solanolone

Synonymous chemical names:
solanolone

External chemical identifiers:
CID:131751401, ChEBI:174654

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Chemical structure information

SMILES:
OC1CCC2C(C1O)c1cc(C)c(cc1C(=O)C2O)O

InChI:
InChI=1S/C15H18O5/c1-6-4-8-9(5-11(6)17)14(19)13(18)7-2-3-10(16)15(20)12(7)8/h4-5,7,10,12-13,15-18,20H,2-3H2,1H3

InChIKey:
MBBMNXMKZBEZIP-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6O))cccC)ccc6C=O)C%10O)))))O

Functional groups:
CO, 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: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Hydrophenanthrenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Podocarpane diterpenoids

NP-Likeness score: 2.072

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Chemical structure download