Summary

IMPPAT Phytochemical identifier: IMPHY016516

Phytochemical name: Pentacyclo[9.1.0.0(2,4).0(5,7).0(8,10)]dodecane, 3,3,6,6,9,9,12,12-octamethyl-, anti,anti,anti-

Synonymous chemical names:
anti,anti,anti-3,3,6,6,9,9,12,12-octamethyl-pentacyclo[9.1.0.0(2,4).0(5,7).0(8,10)] dodecane

External chemical identifiers:
CID:534943

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Chemical structure information

SMILES:
CC1(C)C2C1C1C(C1(C)C)C1C(C3C2C3(C)C)C1(C)C

InChI:
InChI=1S/C20H32/c1-17(2)9-10(17)12-14(19(12,5)6)16-15(20(16,7)8)13-11(9)18(13,3)4/h9-16H,1-8H3

InChIKey:
HXRPCADGDWCZRX-UHFFFAOYSA-N

DeepSMILES:
CCC)CC3CCC3C)C))CCCC8C3C)C))))C3C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2C1C1CC1C1CC1C1CC21

Scaffold Graph/Node level:
C1C2C1C1CC1C1CC1C1CC21

Scaffold Graph level:
C1C2C1C1CC1C1CC1C1CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids, Carane monoterpenoids

NP-Likeness score: 0.547

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Chemical structure download