Summary

IMPPAT Phytochemical identifier: IMPHY002423

Phytochemical name: Coleon S

Synonymous chemical names:
coleon s

External chemical identifiers:
CID:101603222, ZINC:ZINC000085925738

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Chemical structure information

SMILES:
O=C1c2c(O)c(C(C)C)c(c(c2[C@@]2(C(=C1O)C(C)(C)[C@H](CC2)O)C)O)O

InChI:
InChI=1S/C20H26O6/c1-8(2)10-13(22)11-12(16(25)14(10)23)20(5)7-6-9(21)19(3,4)18(20)17(26)15(11)24/h8-9,21-23,25-26H,6-7H2,1-5H3/t9-,20+/m0/s1

InChIKey:
BKRYNIDYZDMZFQ-GWNMQOMSSA-N

DeepSMILES:
O=CccO)cCC)C))ccc6[C@@]C=C%10O))CC)C)[C@H]CC6))O))))C)))O))O

Functional groups:
CO, cC(=O)C(O)=C(C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2c2ccccc21

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: Abeoabietane diterpenoids

NP-Likeness score: 2.154

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Chemical structure download