Summary

IMPPAT Phytochemical identifier: IMPHY009357

Phytochemical name: Yuehchukene

Synonymous chemical names:
yuehchukene

External chemical identifiers:
CID:126009, ZINC:ZINC000005767708

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Chemical structure information

SMILES:
CC1=C[C@H]2c3c4ccccc4[nH]c3[C@@H]([C@H]2C(C1)(C)C)c1c[nH]c2c1cccc2

InChI:
InChI=1S/C26H26N2/c1-15-12-18-22-17-9-5-7-11-21(17)28-25(22)23(24(18)26(2,3)13-15)19-14-27-20-10-6-4-8-16(19)20/h4-12,14,18,23-24,27-28H,13H2,1-3H3/t18-,23+,24-/m0/s1

InChIKey:
CZJCZWZKBWLSQX-GLYQVZKVSA-N

DeepSMILES:
CC=C[C@H]ccccccc6[nH]c9[C@@H][C@H]%12CC%16)C)C)))cc[nH]cc5cccc6

Functional groups:
CC(C)=CC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2c3c([nH]c4ccccc34)C(c3c[nH]c4ccccc34)C2CC1

Scaffold Graph/Node level:
C1CCC2C(C1)NCC2C1C2CCCCC2C2C3CCCCC3NC21

Scaffold Graph level:
C1CCC2C(C1)CCC2C1C2CCCCC2C2C3CCCCC3CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 1.104

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Chemical structure download