Summary

IMPPAT Phytochemical identifier: IMPHY011242

Phytochemical name: Euglobal ivb

Synonymous chemical names:
euglobal ivb

Chemical structure information

SMILES:
O=Cc1c2O[C@@]3(C)CC/C=C(C)/CC[C@@H]4[C@H]([C@@H]3[C@H](c2c(c(c1O)C=O)O)CC(C)C)C4(C)C

InChI:
InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8+/t17-,20+,22-,23+,28-/m0/s1

InChIKey:
XJFLMCYKZVYATJ-VTQRZBSASA-N

DeepSMILES:
O=CccO[C@@]C)CC/C=CC)/CC[C@@H][C@H][C@@H]%10[C@H]c%14ccc%18O))C=O)))O)))CCC)C)))))C3C)C

Functional groups:
C/C=C(/C)C, cC=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2Oc3ccccc3CC2C2CC2CC1

Scaffold Graph/Node level:
C1CCCC2OC3CCCCC3CC2C2CC2CC1

Scaffold Graph level:
C1CCCC2CC2C2CC3CCCCC3CC2CC1

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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: Polyketides, Terpenoids

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Phloroglucinol-terpene hybrids

NP-Likeness score: 2.485

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Chemical structure download