Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018032

Phytochemical name: Chromolaenin

Synonymous chemical names:
Chromolaenin

External chemical identifiers:
CID:CID_11745938

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Chemical structure information

SMILES:
Cc1ccc2c(-c3c(C)coc3C[C@H]2C)c1

InChI:
InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

InChIKey:
CTILMUMVHPOCNU-SNVBAGLBSA-N

DeepSMILES:
Cccccc-ccC)coc5C[C@H]9C))))))))c6

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCc1occc1-2

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1OCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.089

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Chemical structure download