Cinnamtannin B1
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Cinnamtannin B1
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CAS No:
88082-60-4
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Formula:
C45H36O18
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Chemical Name:
Cinnamtannin B1
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Synonyms:
8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-,(2R,3R,4S,8S,14R,15R)-;8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-,[2R-[2α,3α,4β(2R*,3R*),8β,14β,15R*]]-;(2R,3R,4S,8S,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol;Cinnamtannin B1;LDN 0022358;86588-96-7
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CAS No:
Description
Cinnamtannin B-1 is a proanthocyanidin found in Cinnamomum cassia and Cinnamomum zeylanicum. It has a role as a cyclooxygenase 2 inhibitor and a plant metabolite.
Computed Properties
Molecular Weight:864.8
XLogP3:3.3
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:4
Exact Mass:864.19016430
Monoisotopic Mass:864.19016430
Topological Polar Surface Area:320
Heavy Atom Count:63
Complexity:1610
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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