Summary

IMPPAT Phytochemical identifier: IMPHY003938

Phytochemical name: Garcilivin A

Synonymous chemical names:
garcilivin a

External chemical identifiers:
CID:10348920, ChEMBL:CHEMBL454538, ZINC:ZINC000044358570

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Chemical structure information

SMILES:
CC1=C[C@@H]([C@](CC1)(C)/C=C/c1cc(O)c2c(c1O)oc1c(c2=O)cccc1O)c1cc(O)c2c(c1O)oc1c(c2=O)cccc1O

InChI:
InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36+/m1/s1

InChIKey:
XYRCPMXSIHHGSO-OOJAHBNDSA-N

DeepSMILES:
CC=C[C@@H][C@]CC6))C)/C=C/cccO)ccc6O))occc6=O))cccc6O))))))))))))))))cccO)ccc6O))occc6=O))cccc6O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc(C=CC3CCC=CC3c3ccc4c(=O)c5ccccc5oc4c3)ccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC(CCC3CCCCC3C3CCC4C(C3)OC3CCCCC3C4O)CCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC(CCC3CCCCC3C3CCC4C(C3)CC3CCCCC3C4C)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: 1.629

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Chemical structure download