(Q83030659)

English

2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10R,11R,12S)-

chemical compound

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instance of

type of chemical entity

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subclass of

(11R,12S)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-10H-1,5,9-trioxatriphenylen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

370.178023932 dalton

1 reference

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inferred from InChIKey

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inferred from InChIKey

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inferred from InChIKey

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inferred from InChIKey

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C₂₂H₂₆O₅

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canonical SMILES

O=C1OC=2C(=C3OC(C=CC3=C4OC(C)C(C)C(O)C24)(C)C)C(=C1)CCC

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isomeric SMILES

CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@H](O4)C)C)O

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found in taxon

Calophyllum brasiliense

4 references

stated in

Chemical constituents of Calophyllum brasiliense. 2. Structure of three new coumarins and cancer chemopreventive activity of 4-substituted coumarins

stated in

Chemical constituents of Calophyllum brasiliense. 2. Structure of three new coumarins and cancer chemopreventive activity of 4-substituted coumarins

stated in

HIV-1 inhibitory compounds from Calophyllum brasiliense leaves

stated in

Chemical constituents of Calophyllum brasiliense. 2. Structure of three new coumarins and cancer chemopreventive activity of 4-substituted coumarins

Calophyllum lanigerum

3 references

stated in

The calanolides, a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum

stated in

The calanolides, a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum

stated in

The calanolides, a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum

Identifiers

InChI

InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18-/m0/s1

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InChIKey

NIDRYBLTWYFCFV-IUUKEHGRSA-N

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1 reference

matched by identifier from

InChIKey

NIDRYBLTWYFCFV-IUUKEHGRSA-N

1 reference

1 reference

matched by identifier from

InChIKey

NIDRYBLTWYFCFV-IUUKEHGRSA-N

DSSTOX compound identifier

DTXCID4084602

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(Q83030659)

2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10R,11R,12S)-

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