Summary

IMPPAT Phytochemical identifier: IMPHY008742

Phytochemical name: Rhoiptelenol

Synonymous chemical names:
rhoiptelenol

External chemical identifiers:
CID:102304204, ZINC:ZINC000238779656

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Chemical structure information

SMILES:
C[C@@H]1CC[C@]2([C@@H]([C@H]1C)[C@]1(C)CC[C@@]3([C@@H]([C@]1(CC2)C)CC=C1[C@H]3CC[C@@H](C1(C)C)O)C)C

InChI:
InChI=1S/C30H50O/c1-19-13-14-27(5)15-17-29(7)23-11-9-21-22(10-12-24(31)26(21,3)4)28(23,6)16-18-30(29,8)25(27)20(19)2/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22-,23+,24+,25-,27-,28+,29-,30+/m1/s1

InChIKey:
OGOXWUWQFYWSEG-DOHFDSHUSA-N

DeepSMILES:
C[C@@H]CC[C@][C@@H][C@H]6C))[C@]C)CC[C@@][C@@H][C@]6CC%10))C))CC=C[C@H]6CC[C@@H]C6C)C))O)))))))))C))))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3C4CCCCC4CCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Bauerane triterpenoids, Glutinane triterpenoids, Ursane and Taraxastane triterpenoids

NP-Likeness score: 3.282

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Chemical structure download