Summary

IMPPAT Phytochemical identifier: IMPHY010697

Phytochemical name: Garcilivin B

Synonymous chemical names:
garcilivin b

Chemical structure information

SMILES:
CC(=CC1CC(C)(/C=C/c2cc(O)c3c(c2O)oc2c(c3=O)cccc2O)Oc2c1ccc1c2oc2c(c1=O)c(O)ccc2O)C

InChI:
InChI=1S/C36H28O10/c1-16(2)13-18-15-36(3,46-33-19(18)7-8-21-30(43)26-22(37)9-10-24(39)34(26)45-32(21)33)12-11-17-14-25(40)27-29(42)20-5-4-6-23(38)31(20)44-35(27)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b12-11+

InChIKey:
QSAFXQIKPWJREW-VAWYXSNFSA-N

DeepSMILES:
CC=CCCCC)/C=C/cccO)ccc6O))occc6=O))cccc6O)))))))))))))))Occ6cccc6occc6=O))cO)ccc6O)))))))))))))))))))C

Functional groups:
CC=C(C)C, c/C=C/C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc(C=CC3CCc4ccc5c(=O)c6ccccc6oc5c4O3)ccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC(CCC3CCC4CCC5C(O)C6CCCCC6OC5C4O3)CCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC(CCC3CCC4CCC5C(C)C6CCCCC6CC5C4C3)CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.685

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Chemical structure download