Summary

IMPPAT Phytochemical identifier: IMPHY011145

Phytochemical name: Spiranthol C

Synonymous chemical names:
spiranthol c

External chemical identifiers:
CID:14583241

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Chemical structure information

SMILES:
COc1cc(O)c2-c3ccc4c(c3CCc2c1)CC(O4)C(O)(C)C

InChI:
InChI=1S/C20H22O4/c1-20(2,22)18-10-15-13-5-4-11-8-12(23-3)9-16(21)19(11)14(13)6-7-17(15)24-18/h6-9,18,21-22H,4-5,10H2,1-3H3

InChIKey:
RJZSPFLLKPIMGP-UHFFFAOYSA-N

DeepSMILES:
COcccO)c-cccccc6CCc%10c%14)))))CCO5)CO)C)C

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCc1c-2ccc2c1CCO2

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 2.169

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Chemical structure download