Summary

IMPPAT Phytochemical identifier: IMPHY012404

Phytochemical name: Curcusone C

Synonymous chemical names:
curcusone c

External chemical identifiers:
CID:175942

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Chemical structure information

SMILES:
CC(=C)C1CCC(=C)C2[C@H]1C=C(C)C(=O)C1=C2C(=O)[C@@](C1)(C)O

InChI:
InChI=1S/C20H24O3/c1-10(2)13-7-6-11(3)16-14(13)8-12(4)18(21)15-9-20(5,23)19(22)17(15)16/h8,13-14,16,23H,1,3,6-7,9H2,2,4-5H3/t13?,14-,16?,20-/m0/s1

InChIKey:
DBPPEQIYWCILTJ-DNUKQYJSSA-N

DeepSMILES:
CC=C)CCCC=C)C[C@H]6C=CC)C=O)C=C7C=O)[C@@]C5)C)O

Functional groups:
C=C(C)C, CC1=CCCC2=C(CCC2=O)C1=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CC(=O)C3=C(C(=O)CC3)C12

Scaffold Graph/Node level:
CC1CCCC2CCC(O)C3CCC(O)C3C12

Scaffold Graph level:
CC1CCC2CCCC(C)C2C2C(C)CCC12

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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: Rhamnofolane diterpenoids

NP-Likeness score: 2.927

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Chemical structure download