Summary

IMPPAT Phytochemical identifier: IMPHY015144

Phytochemical name: 1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-Tetradecahydrobenzo[b]fluoranthene

Synonymous chemical names:
1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-tetradecahydrobenzo[b]fluoranthene

External chemical identifiers:
CID:622319

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Chemical structure information

SMILES:
C1CCC2C(C1)C1CCCc3c1c2cc1c3CCCC1

InChI:
InChI=1S/C20H26/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h12,15-16,18H,1-11H2

InChIKey:
SLLFJULUXKBADI-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6)CCCCcc6c9ccc6CCCC6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(c3c4c1C1CCCCC1C4CCC3)CCCC2

Scaffold Graph/Node level:
C1CCC2C(C1)CC1C3CCCCC3C3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3C3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP-Likeness score: 0.708

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Chemical structure download