Summary

IMPPAT Phytochemical identifier: IMPHY000326

Phytochemical name: 7-Hydroxyconessine

Synonymous chemical names:
7alpha-hydroxyconessine

External chemical identifiers:
CID:102093825, ZINC:ZINC000095912001

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Chemical structure information

SMILES:
O[C@@H]1C=C2C[C@H](CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]3[C@]1(CC2)CN([C@H]3C)C)C)N(C)C

InChI:
InChI=1S/C24H40N2O/c1-15-18-6-7-20-22-19(9-11-24(18,20)14-26(15)5)23(2)10-8-17(25(3)4)12-16(23)13-21(22)27/h13,15,17-22,27H,6-12,14H2,1-5H3/t15-,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1

InChIKey:
LDSAFYKZSKWMNQ-SRLNFEISSA-N

DeepSMILES:
O[C@@H]C=CC[C@H]CC[C@@]6[C@@H][C@@H]%10[C@@H]CC[C@H][C@]5CC9))CN[C@H]5C))C))))))))))C))))NC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC34CNCC3CCC4C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC23CCCC2CCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroidal alkaloids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Steroidal alkaloids

NP-Likeness score: 2.605

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Chemical structure download