Summary

IMPPAT Phytochemical identifier: IMPHY002716

Phytochemical name: Taxamairin C

Synonymous chemical names:
taxamairein c

External chemical identifiers:
CID:101335609

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Chemical structure information

SMILES:
COc1c(O)c2c(cc1C(C)C)C(=O)C[C@@H]1[C@@]32CC[C@](OC3)(C1(C)C)O

InChI:
InChI=1S/C21H28O5/c1-11(2)12-8-13-14(22)9-15-19(3,4)21(24)7-6-20(15,10-26-21)16(13)17(23)18(12)25-5/h8,11,15,23-24H,6-7,9-10H2,1-5H3/t15-,20+,21-/m0/s1

InChIKey:
SUDWEJIYLMEIED-RVHYNSKXSA-N

DeepSMILES:
COccO)cccc6CC)C))))C=O)C[C@@H][C@]6CC[C@]OC6))C6C)C))O

Functional groups:
CO[C@](C)(C)O, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC3CCC2(CO3)c2ccccc21

Scaffold Graph/Node level:
OC1CC2CC3CCC2(CO3)C2CCCCC12

Scaffold Graph level:
CC1CC2CC3CCC2(CC3)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Abietane diterpenoids

NP-Likeness score: 2.491

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Chemical structure download