Summary

IMPPAT Phytochemical identifier: IMPHY008870

Phytochemical name: Holadysamine

Synonymous chemical names:
holadysamine

External chemical identifiers:
CID:132602823

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Chemical structure information

SMILES:
CNC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(O)C)C)C1)C

InChI:
InChI=1S/C22H35NO/c1-14(24)18-7-8-19-17-6-5-15-13-16(23-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,7,14,16-17,19-20,23-24H,6,8-13H2,1-4H3/t14?,16?,17-,19-,20-,21-,22+/m0/s1

InChIKey:
XGTRFWNUPBJUPH-YSFFVJTJSA-N

DeepSMILES:
CNCCC[C@]C=CC[C@@H][C@@H]6CC[C@][C@H]6CC=C5CO)C))))))C))))))))C6))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC3C4CCCCC4=CCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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: Hydroxysteroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP-Likeness score: 2.427

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Chemical structure download